RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0040412 | |
---|---|---|
RefMet name | N,N-Diethyl-m-toluamide | |
Systematic name | N,N-diethyl-3-methylbenzamide | |
Synonyms | PubChem Synonyms | |
Exact mass | 191.131014 (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 | C12H17NO | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 50010 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 | |
InChIKey | MMOXZBCLCQITDF-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCN(CC)C(=O)c1cccc(C)c1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Benzenoids | |
Main Class | Benzamides | |
Sub Class | Benzamides | |
Distribution of N,N-Diethyl-m-toluamide 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 N,N-Diethyl-m-toluamide | |
External Links | ||
Pubchem CID | 4284 | |
ChEBI ID | 7071 | |
KEGG ID | C10935 | |
HMDB ID | HMDB0250930 | |
EPA CompTox | DTXCID601995 | |
Spectral data for N,N-Diethyl-m-toluamide standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |