CID 510026

1-methyl-3-phenethyl-2h-benzimidazole

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

CN1CN(C2=CC=CC=C21)CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2/c1-17-13-18(16-10-6-5-9-15(16)17)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3

InChIKey

SJLAQMZNDOJFDY-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-phenylethyl)-2H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.147 Da
Monoisotopic Mass: 4.0
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]+	239.154276	156.0
[M+Na]+	261.136218	164.1
[M-H]-	237.139724	160.7
[M+NH4]+	256.180823	173.8
[M+K]+	277.110158	158.9
[M+H-H2O]+	221.144260	147.1
[M+HCOO]-	283.145201	176.3
[M+CH3COO]-	297.160851	168.0
[M+Na-2H]-	259.121666	160.7
[M]+	238.14645142	155.6
[M]-	238.14754858	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.