Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67572
Common Name:	1,5-Diphenylcarbazide
Systematic Name:	1,3-dianilinourea
Synonyms:	Diphenylcarbazide; 1,5-Diphenylcarbohydrazide; 1,5-Diphenylcarbonohydrazide; Carbohydrazide, 1,5-diphenyl- [PubChem Synonyms]
Exact Mass:	242.1168 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C13H14N4O
InChIKey:	KSPIHGBHKVISFI-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Phenylhydrazines [C0000113]
ClassyFire direct parent:	Phenylhydrazines [C0000113]
Massbank MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)NNC(=O)NNc1ccccc1
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	8789
HMDB ID:	HMDB0244234
KEGG ID:	C11232
Plant Metabolite Hub(Pmhub):	MS000009564

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y