CID 12250938

58112-93-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CN1C2=CC=CC=C2N=C1CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)17-16(18)11-15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey

DYLCLDYOAHTSPW-UHFFFAOYSA-N

Compound name

2-(1-methylbenzimidazol-2-yl)-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.11061 Da
Monoisotopic Mass: 2.8
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]+	251.11789	156.4
[M+Na]+	273.09983	172.3
[M+NH4]+	268.14443	165.1
[M+K]+	289.07377	165.8
[M-H]-	249.10333	160.4
[M+Na-2H]-	271.08528	165.7
[M]+	250.11006	159.9
[M]-	250.11116	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.