CID 212244

Brn 1576119

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CN1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N2O/c1-15-12-9-5-6-10-13(12)16(14(15)17)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

VMKCXIJBSNPXCB-UHFFFAOYSA-N

Compound name

1-methyl-3-phenylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 224.09496 Da
Monoisotopic Mass: 3.0
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]+	225.10224	147.7
[M+Na]+	247.08418	164.9
[M+NH4]+	242.12878	157.0
[M+K]+	263.05812	158.2
[M-H]-	223.08768	152.1
[M+Na-2H]-	245.06963	157.7
[M]+	224.09441	151.6
[M]-	224.09551	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe