CID 44418370

Chembl218034

Structural Information

Molecular Formula

C₁₉H₂₁N₃

SMILES

C1CCC(CC1)CN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3/c1-3-7-15(8-4-1)13-22-12-11-17-18(14-22)21-19(20-17)16-9-5-2-6-10-16/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2

InChIKey

FSHJMCVDCUMLIR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 291.17355 Da
Monoisotopic Mass: 4.0
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]+	292.18083	170.5
[M+Na]+	314.16277	176.3
[M-H]-	290.16627	175.9
[M+NH4]+	309.20737	183.7
[M+K]+	330.13671	169.7
[M+H-H2O]+	274.17081	158.9
[M+HCOO]-	336.17175	186.6
[M+CH3COO]-	350.18740	179.9
[M+Na-2H]-	312.14822	173.4
[M]+	291.17300	165.9
[M]-	291.17410	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe