CID 10380992

Chembl219383

Structural Information

Molecular Formula

C₂₀H₁₇N₃O

SMILES

COC1=CC=C(C=C1)CN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O/c1-24-17-9-7-15(8-10-17)13-23-12-11-18-19(14-23)22-20(21-18)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3

InChIKey

FLUFQHVELZOVEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 315.13718 Da
Monoisotopic Mass: 3.2
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]+	316.14446	175.5
[M+Na]+	338.12640	184.7
[M-H]-	314.12990	182.4
[M+NH4]+	333.17100	188.2
[M+K]+	354.10034	178.0
[M+H-H2O]+	298.13444	164.2
[M+HCOO]-	360.13538	195.7
[M+CH3COO]-	374.15103	186.4
[M+Na-2H]-	336.11185	180.3
[M]+	315.13663	177.3
[M]-	315.13773	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe