CID 10403310

Chembl216892

Structural Information

Molecular Formula

C₂₁H₁₉N₃

SMILES

C1=CC=C(C=C1)CCCN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3/c1-3-8-17(9-4-1)10-7-14-24-15-13-19-20(16-24)23-21(22-19)18-11-5-2-6-12-18/h1-6,8-9,11-13,15-16H,7,10,14H2

InChIKey

PZIVXRIFRACLGX-UHFFFAOYSA-N

Compound name

2-phenyl-5-(3-phenylpropyl)imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 313.1579 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]+	314.16518	176.0
[M+Na]+	336.14712	184.0
[M-H]-	312.15062	182.3
[M+NH4]+	331.19172	188.6
[M+K]+	352.12106	176.4
[M+H-H2O]+	296.15516	164.3
[M+HCOO]-	358.15610	195.6
[M+CH3COO]-	372.17175	186.3
[M+Na-2H]-	334.13257	181.0
[M]+	313.15735	176.3
[M]-	313.15845	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe