CID 89156843

2418718-73-5

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃

SMILES

C1=CC=C(C=C1)N2C3=C(C=CN=C3)N=C2CCl

InChI

InChI=1S/C13H10ClN3/c14-8-13-16-11-6-7-15-9-12(11)17(13)10-4-2-1-3-5-10/h1-7,9H,8H2

InChIKey

SHPUABKENOQMFP-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-3-phenylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.05632 Da
Monoisotopic Mass: 2.5
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]+	244.06360	151.0
[M+Na]+	266.04554	169.0
[M+NH4]+	261.09014	160.6
[M+K]+	282.01948	161.2
[M-H]-	242.04904	155.1
[M+Na-2H]-	264.03099	161.6
[M]+	243.05577	155.2
[M]-	243.05687	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe