CID 74356

1707-67-1

Structural Information

Molecular Formula

C₂₁H₁₅ClN₂

SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)

InChIKey

NSWNXQGJAPQOID-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8154
Patents: 330.09238 Da
Monoisotopic Mass: 5.7
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]+	331.09966	178.0
[M+Na]+	353.08160	187.2
[M-H]-	329.08510	186.7
[M+NH4]+	348.12620	190.3
[M+K]+	369.05554	177.6
[M+H-H2O]+	313.08964	167.3
[M+HCOO]-	375.09058	194.2
[M+CH3COO]-	389.10623	188.5
[M+Na-2H]-	351.06705	180.7
[M]+	330.09183	177.5
[M]-	330.09293	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe