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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 192.0
[M+Na]+ 394.16567 201.3
[M-H]- 370.16917 198.3
[M+NH4]+ 389.21027 206.1
[M+K]+ 410.13961 194.9
[M+H-H2O]+ 354.17371 182.1
[M+HCOO]- 416.17465 210.2
[M+CH3COO]- 430.19030 223.6
[M+Na-2H]- 392.15112 193.7
[M]+ 371.17590 201.0
[M]- 371.17700 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.