CID 44418324

Chembl219579

Structural Information

Molecular Formula

C₂₃H₂₃N₃

SMILES

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

InChI

InChI=1S/C23H23N3/c1-23(2,3)19-11-9-17(10-12-19)15-26-14-13-20-21(16-26)25-22(24-20)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3

InChIKey

CSAQSFXVIYEXSS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 341.1892 Da
Monoisotopic Mass: 4.9
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]+	342.19648	187.7
[M+Na]+	364.17842	196.1
[M-H]-	340.18192	194.4
[M+NH4]+	359.22302	199.6
[M+K]+	380.15236	188.6
[M+H-H2O]+	324.18646	176.5
[M+HCOO]-	386.18740	204.9
[M+CH3COO]-	400.20305	197.5
[M+Na-2H]-	362.16387	191.5
[M]+	341.18865	188.5
[M]-	341.18975	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe