CID 508399

Chembl321875

Structural Information

Molecular Formula
C25H31Cl2N5
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)CN5CCC(CC5)N)Cl)Cl
InChI
InChI=1S/C25H31Cl2N5/c26-21-13-23-24(14-22(21)27)32(25(30-23)19-5-9-29-10-6-19)16-18-3-1-17(2-4-18)15-31-11-7-20(28)8-12-31/h1-4,13-14,19-20,29H,5-12,15-16,28H2
InChIKey
OOLALXQKJJBFEI-UHFFFAOYSA-N
Compound name
1-[[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 215.6
[M+Na]+ 494.18487 221.0
[M-H]- 470.18837 219.6
[M+NH4]+ 489.22947 220.5
[M+K]+ 510.15881 210.2
[M+H-H2O]+ 454.19291 202.0
[M+HCOO]- 516.19385 215.6
[M+CH3COO]- 530.20950 219.9
[M+Na-2H]- 492.17032 210.6
[M]+ 471.19510 210.2
[M]- 471.19620 210.2
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.