CID 508397

Chembl432255

Structural Information

Molecular Formula
C24H29Cl2N5
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)CN5CCNCC5)Cl)Cl
InChI
InChI=1S/C24H29Cl2N5/c25-20-13-22-23(14-21(20)26)31(24(29-22)19-5-7-27-8-6-19)16-18-3-1-17(2-4-18)15-30-11-9-28-10-12-30/h1-4,13-14,19,27-28H,5-12,15-16H2
InChIKey
SVKXJUGDEABTDC-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-2-piperidin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.18 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.18728 210.3
[M+Na]+ 480.16922 215.5
[M-H]- 456.17272 211.8
[M+NH4]+ 475.21382 213.8
[M+K]+ 496.14316 204.1
[M+H-H2O]+ 440.17726 195.7
[M+HCOO]- 502.17820 207.2
[M+CH3COO]- 516.19385 213.9
[M+Na-2H]- 478.15467 206.1
[M]+ 457.17945 204.0
[M]- 457.18055 204.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.