CID 17261

Benzimidazole, 5,6-dichloro-1-(2-dimethylaminoethyl)-2-(p-ethoxybenzyl)-, hydrochloride

Structural Information

Molecular Formula
C20H23Cl2N3O
SMILES
CCOC1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3N2CCN(C)C)Cl)Cl
InChI
InChI=1S/C20H23Cl2N3O/c1-4-26-15-7-5-14(6-8-15)11-20-23-18-12-16(21)17(22)13-19(18)25(20)10-9-24(2)3/h5-8,12-13H,4,9-11H2,1-3H3
InChIKey
LSGPUVBUGLAHLC-UHFFFAOYSA-N
Compound name
2-[5,6-dichloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12183 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12911 193.9
[M+Na]+ 414.11105 204.8
[M-H]- 390.11455 199.8
[M+NH4]+ 409.15565 207.9
[M+K]+ 430.08499 197.6
[M+H-H2O]+ 374.11909 184.7
[M+HCOO]- 436.12003 207.1
[M+CH3COO]- 450.13568 225.8
[M+Na-2H]- 412.09650 194.5
[M]+ 391.12128 204.1
[M]- 391.12238 204.1
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.