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 190.4
[M+Na]+ 394.16567 206.1
[M+NH4]+ 389.21027 198.7
[M+K]+ 410.13961 198.0
[M-H]- 370.16917 195.4
[M+Na-2H]- 392.15112 198.3
[M]+ 371.17590 194.5
[M]- 371.17700 194.5
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.