CID 508382

Chembl110368

Structural Information

Molecular Formula
C19H18Cl2FN3
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)F)Cl)Cl
InChI
InChI=1S/C19H18Cl2FN3/c20-15-9-17-18(10-16(15)21)25(11-12-1-3-14(22)4-2-12)19(24-17)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8,11H2
InChIKey
WAFXPQSOYPOPEQ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.08618 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09346 186.8
[M+Na]+ 400.07540 196.9
[M-H]- 376.07890 189.6
[M+NH4]+ 395.12000 198.1
[M+K]+ 416.04934 186.7
[M+H-H2O]+ 360.08344 175.3
[M+HCOO]- 422.08438 191.7
[M+CH3COO]- 436.10003 195.1
[M+Na-2H]- 398.06085 186.0
[M]+ 377.08563 185.7
[M]- 377.08673 185.7
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.