CID 53612

77234-74-3

Structural Information

Molecular Formula

C₁₇H₁₄N₂O

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)CN3C=CN=C3

InChI

InChI=1S/C17H14N2O/c20-17(12-19-11-10-18-13-19)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-11,13H,12H2

InChIKey

TVYSNMRTGOTTCE-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(2-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 262.11063 Da
Monoisotopic Mass: 3.2
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]+	263.117906	159.9
[M+Na]+	285.099848	167.3
[M-H]-	261.103354	167.0
[M+NH4]+	280.144453	174.8
[M+K]+	301.073788	162.2
[M+H-H2O]+	245.107890	150.0
[M+HCOO]-	307.108831	182.1
[M+CH3COO]-	321.124481	171.7
[M+Na-2H]-	283.085296	164.1
[M]+	262.11008142	159.6
[M]-	262.11117858	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe