CID 10426117

Chembl219422

Structural Information

Molecular Formula
C19H14ClN3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H14ClN3/c20-16-8-4-5-14(11-16)12-23-10-9-17-18(13-23)22-19(21-17)15-6-2-1-3-7-15/h1-11,13H,12H2
InChIKey
HMUAZDHMCQGIHU-UHFFFAOYSA-N
Compound name
5-[(3-chlorophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

319.08762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09490 174.9
[M+Na]+ 342.07684 185.5
[M-H]- 318.08034 181.5
[M+NH4]+ 337.12144 188.4
[M+K]+ 358.05078 176.9
[M+H-H2O]+ 302.08488 163.7
[M+HCOO]- 364.08582 190.4
[M+CH3COO]- 378.10147 185.8
[M+Na-2H]- 340.06229 179.6
[M]+ 319.08707 177.2
[M]- 319.08817 177.2
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.