CID 11779505

Chembl216920

Structural Information

Molecular Formula

C₂₀H₁₇N₃

SMILES

CC1=CC=C(C=C1)CN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3/c1-15-7-9-16(10-8-15)13-23-12-11-18-19(14-23)22-20(21-18)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3

InChIKey

OYVADOCHXUAHME-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 299.14224 Da
Monoisotopic Mass: 3.6
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]+	300.14952	172.4
[M+Na]+	322.13146	181.8
[M-H]-	298.13496	179.3
[M+NH4]+	317.17606	185.9
[M+K]+	338.10540	174.4
[M+H-H2O]+	282.13950	161.2
[M+HCOO]-	344.14044	192.4
[M+CH3COO]-	358.15609	183.4
[M+Na-2H]-	320.11691	177.2
[M]+	299.14169	172.8
[M]-	299.14279	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe