CID 53708

Enoximone

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)

InChIKey

ZJKNESGOIKRXQY-UHFFFAOYSA-N

Compound name

4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 584
References: 7498
Patents: 248.06195 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.06923	153.9
[M+Na]+	271.05117	163.9
[M-H]-	247.05467	156.5
[M+NH4]+	266.09577	169.9
[M+K]+	287.02511	158.1
[M+H-H2O]+	231.05921	147.3
[M+HCOO]-	293.06015	168.9
[M+CH3COO]-	307.07580	186.8
[M+Na-2H]-	269.03662	153.2
[M]+	248.06140	154.9
[M]-	248.06250	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe