CID 16077351

Chembl242674

Structural Information

Molecular Formula

C₂₀H₁₆BrN₃

SMILES

C1=CC=C(C=C1)CC2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3/c21-17-8-6-16(7-9-17)13-24-11-10-18-19(14-24)23-20(22-18)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2

InChIKey

VEOFWSOCPINLBC-UHFFFAOYSA-N

Compound name

2-benzyl-5-[(4-bromophenyl)methyl]imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 377.05276 Da
Monoisotopic Mass: 4.2
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]+	378.06004	183.2
[M+Na]+	400.04198	195.0
[M-H]-	376.04548	192.4
[M+NH4]+	395.08658	197.6
[M+K]+	416.01592	181.2
[M+H-H2O]+	360.05002	179.9
[M+HCOO]-	422.05096	201.1
[M+CH3COO]-	436.06661	195.4
[M+Na-2H]-	398.02743	188.8
[M]+	377.05221	202.3
[M]-	377.05331	202.3

Literature stripe

literature stripe

Patent stripe

patents stripe