CID 10066826

Chembl219242

Structural Information

Molecular Formula

C₁₉H₁₄ClN₃

SMILES

C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3/c20-16-8-6-14(7-9-16)12-23-11-10-17-18(13-23)22-19(21-17)15-4-2-1-3-5-15/h1-11,13H,12H2

InChIKey

AWRYDQQVGCSNME-UHFFFAOYSA-N

Compound name

5-[(4-chlorophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 319.08762 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe