CID 10449754

Chembl397478

Structural Information

Molecular Formula
C19H13ClFN3
SMILES
C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C19H13ClFN3/c20-14-7-5-13(6-8-14)11-24-10-9-17-18(12-24)23-19(22-17)15-3-1-2-4-16(15)21/h1-10,12H,11H2
InChIKey
YZUXVZDOJDDZFC-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

337.07822 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08550 178.1
[M+Na]+ 360.06744 189.6
[M-H]- 336.07094 183.6
[M+NH4]+ 355.11204 191.0
[M+K]+ 376.04138 180.5
[M+H-H2O]+ 320.07548 166.1
[M+HCOO]- 382.07642 192.5
[M+CH3COO]- 396.09207 188.7
[M+Na-2H]- 358.05289 181.4
[M]+ 337.07767 179.9
[M]- 337.07877 179.9
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

patents stripe