CID 16077348

Chembl244598

Structural Information

Molecular Formula

C₁₈H₁₃BrN₄

SMILES

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

InChI

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

InChIKey

NZRQXRIDGDWXHW-UHFFFAOYSA-N

Compound name

5-[(4-bromophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
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