CID 10359098

Chembl376739

Structural Information

Molecular Formula

C₂₂H₂₁N₃

SMILES

C1=CC=C(C=C1)CCCCN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3/c1-3-9-18(10-4-1)11-7-8-15-25-16-14-20-21(17-25)24-22(23-20)19-12-5-2-6-13-19/h1-6,9-10,12-14,16-17H,7-8,11,15H2

InChIKey

SJSHOZIEZBEJEF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 327.17355 Da
Monoisotopic Mass: 4.3
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]+	328.18083	180.5
[M+Na]+	350.16277	188.0
[M-H]-	326.16627	186.5
[M+NH4]+	345.20737	192.4
[M+K]+	366.13671	180.1
[M+H-H2O]+	310.17081	168.5
[M+HCOO]-	372.17175	199.7
[M+CH3COO]-	386.18740	190.2
[M+Na-2H]-	348.14822	184.9
[M]+	327.17300	181.1
[M]-	327.17410	181.1

Literature stripe

literature stripe

Patent stripe

patents stripe