CID 683409

1-(4-chlorobenzyl)-5,6-dimethyl-1h-benzimidazole

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂

SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3

InChIKey

AGMQHEBJQCVRFK-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 270.09238 Da
Monoisotopic Mass: 4.4
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]+	271.09966	161.5
[M+Na]+	293.08160	174.2
[M-H]-	269.08510	167.3
[M+NH4]+	288.12620	179.7
[M+K]+	309.05554	166.9
[M+H-H2O]+	253.08964	153.4
[M+HCOO]-	315.09058	179.8
[M+CH3COO]-	329.10623	174.7
[M+Na-2H]-	291.06705	166.1
[M]+	270.09183	166.9
[M]-	270.09293	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe