CID 508388

Chembl321230

Structural Information

Molecular Formula
C23H29Cl2N5
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)CNCCCN)Cl)Cl
InChI
InChI=1S/C23H29Cl2N5/c24-19-12-21-22(13-20(19)25)30(23(29-21)18-6-10-27-11-7-18)15-17-4-2-16(3-5-17)14-28-9-1-8-26/h2-5,12-13,18,27-28H,1,6-11,14-15,26H2
InChIKey
JMQRZHPKOKWTDW-UHFFFAOYSA-N
Compound name
N'-[[4-[(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)methyl]phenyl]methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.18 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18728 207.2
[M+Na]+ 468.16922 213.7
[M-H]- 444.17272 210.3
[M+NH4]+ 463.21382 215.0
[M+K]+ 484.14316 203.2
[M+H-H2O]+ 428.17726 196.0
[M+HCOO]- 490.17820 213.5
[M+CH3COO]- 504.19385 213.2
[M+Na-2H]- 466.15467 205.9
[M]+ 445.17945 206.5
[M]- 445.18055 206.5
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.