CID 59441

Benzimidazole, 6-chloro-1-(2-(diethylamino)ethyl)-2-(p-methoxybenzyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O

SMILES

CCN(CC)CCN1C2=C(C=CC(=C2)Cl)N=C1CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26ClN3O/c1-4-24(5-2)12-13-25-20-15-17(22)8-11-19(20)23-21(25)14-16-6-9-18(26-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3

InChIKey

PWMWPLDVVMXUSM-UHFFFAOYSA-N

Compound name

2-[6-chloro-2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.17645 Da
Monoisotopic Mass: 4.7
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]+	372.183726	192.0
[M+Na]+	394.165668	201.3
[M-H]-	370.169174	198.3
[M+NH4]+	389.210273	206.1
[M+K]+	410.139608	194.9
[M+H-H2O]+	354.173710	182.1
[M+HCOO]-	416.174651	210.2
[M+CH3COO]-	430.190301	223.6
[M+Na-2H]-	392.151116	193.7
[M]+	371.17590142	201.0
[M]-	371.17699858	201.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.