RefMet Compound Details

RefMet IDRM0040412
MW structure50010 (View MW Metabolite Database details)
RefMet nameN,N-Diethyl-m-toluamide
Systematic nameN,N-diethyl-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass191.131014 (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
FormulaC12H17NOView other entries in RefMet with this formula
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKeyMMOXZBCLCQITDF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzamides
Sub ClassBenzamides
Pubchem CID4284
ChEBI ID7071
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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