RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0019936 | |
---|---|---|
RefMet name | Ferimzone | |
Systematic name | 4,6-dimethyl-N-[(Z)-1-(o-tolyl)ethylideneamino]pyrimidin-2-amine | |
Synonyms | PubChem Synonyms | |
Exact mass | 254.153146 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C15H18N4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 87103 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13- | |
InChIKey | GOWLARCWZRESHU-AQTBWJFISA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | Cc1ccccc1/C(=N\Nc1nc(C)cc(C)n1)/C
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Benzenoids | |
Main Class | Benzenes | |
Sub Class | Toluenes | |
Distribution of Ferimzone in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting Ferimzone | |
External Links | ||
Pubchem CID | 9013425 | |
ChEBI ID | 81844 | |
KEGG ID | C18579 | |
Chemspider ID | 7304099 | |
EPA CompTox | DTXCID101049632 | |
Spectral data for Ferimzone standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |