CID 11722514

Chembl373550

Structural Information

Molecular Formula

C₁₉H₁₄FN₃

SMILES

C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=CC=C4F

InChI

InChI=1S/C19H14FN3/c20-16-9-5-4-8-15(16)12-23-11-10-17-18(13-23)22-19(21-17)14-6-2-1-3-7-14/h1-11,13H,12H2

InChIKey

INUIHDAAAYJSHG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 303.1172 Da
Monoisotopic Mass: 3.4
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]+	304.12448	170.7
[M+Na]+	326.10642	180.7
[M-H]-	302.10992	176.4
[M+NH4]+	321.15102	184.0
[M+K]+	342.08036	172.9
[M+H-H2O]+	286.11446	158.7
[M+HCOO]-	348.11540	190.0
[M+CH3COO]-	362.13105	181.6
[M+Na-2H]-	324.09187	175.4
[M]+	303.11665	169.9
[M]-	303.11775	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe