CID 21822442

24631-04-7

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CN(C(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O/c1-8-7-12(10(13)11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)

InChIKey

RUZYCVHCXXITIV-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-1H-imidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 174.07932 Da
Monoisotopic Mass: 1.3
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]+	175.08660	134.6
[M+Na]+	197.06854	144.7
[M-H]-	173.07204	138.2
[M+NH4]+	192.11314	153.6
[M+K]+	213.04248	140.7
[M+H-H2O]+	157.07658	127.3
[M+HCOO]-	219.07752	157.5
[M+CH3COO]-	233.09317	148.4
[M+Na-2H]-	195.05399	140.4
[M]+	174.07877	133.8
[M]-	174.07987	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe