CID 508393

Chembl326029

Structural Information

Molecular Formula
C25H31Cl2N5
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)CNC5CCNCC5)Cl)Cl
InChI
InChI=1S/C25H31Cl2N5/c26-21-13-23-24(14-22(21)27)32(25(31-23)19-5-9-28-10-6-19)16-18-3-1-17(2-4-18)15-30-20-7-11-29-12-8-20/h1-4,13-14,19-20,28-30H,5-12,15-16H2
InChIKey
AFPKWYYPRYIDLR-UHFFFAOYSA-N
Compound name
N-[[4-[(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)methyl]phenyl]methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.19565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.20293 212.2
[M+Na]+ 494.18487 216.3
[M-H]- 470.18837 215.0
[M+NH4]+ 489.22947 216.4
[M+K]+ 510.15881 205.1
[M+H-H2O]+ 454.19291 198.7
[M+HCOO]- 516.19385 211.4
[M+CH3COO]- 530.20950 215.9
[M+Na-2H]- 492.17032 208.8
[M]+ 471.19510 205.8
[M]- 471.19620 205.8
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.