CID 10451453

Chembl244597

Structural Information

Molecular Formula

C₁₈H₁₃BrN₄

SMILES

C1=CC=NC(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H13BrN4/c19-14-6-4-13(5-7-14)11-23-10-8-15-17(12-23)22-18(21-15)16-3-1-2-9-20-16/h1-10,12H,11H2

InChIKey

FOVRJCQLIIJMBZ-UHFFFAOYSA-N

Compound name

5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 364.03235 Da
Monoisotopic Mass: 2.9
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]+	365.03963	177.1
[M+Na]+	387.02157	189.7
[M-H]-	363.02507	185.3
[M+NH4]+	382.06617	190.7
[M+K]+	402.99551	176.1
[M+H-H2O]+	347.02961	173.5
[M+HCOO]-	409.03055	194.4
[M+CH3COO]-	423.04620	189.4
[M+Na-2H]-	385.00702	183.8
[M]+	364.03180	196.0
[M]-	364.03290	196.0

Literature stripe

literature stripe

Patent stripe

patents stripe