CID 508381

1h-benzimidazole, 5,6-dichloro-2-(4-piperidinyl)-1-(3-pyridinylmethyl)-

Structural Information

Molecular Formula
C18H18Cl2N4
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CN=CC=C4)Cl)Cl
InChI
InChI=1S/C18H18Cl2N4/c19-14-8-16-17(9-15(14)20)24(11-12-2-1-5-22-10-12)18(23-16)13-3-6-21-7-4-13/h1-2,5,8-10,13,21H,3-4,6-7,11H2
InChIKey
QYVIFRUMPSWENH-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-piperidin-4-yl-1-(pyridin-3-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.09085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09813 183.3
[M+Na]+ 383.08007 192.7
[M-H]- 359.08357 185.8
[M+NH4]+ 378.12467 193.5
[M+K]+ 399.05401 183.2
[M+H-H2O]+ 343.08811 171.6
[M+HCOO]- 405.08905 188.1
[M+CH3COO]- 419.10470 191.5
[M+Na-2H]- 381.06552 184.3
[M]+ 360.09030 182.6
[M]- 360.09140 182.6
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.