CID 355876

121105-78-0

Structural Information

Molecular Formula

C₁₃H₈ClN₃

SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N

InChI

InChI=1S/C13H8ClN3/c1-8-6-12(14)17-11-5-3-2-4-10(11)16-13(17)9(8)7-15/h2-6H,1H3

InChIKey

AKFXQYMORAUSBD-UHFFFAOYSA-N

Compound name

1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 109
Patents: 241.04068 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]+	242.04796	152.3
[M+Na]+	264.02990	168.7
[M+NH4]+	259.07450	158.6
[M+K]+	280.00384	158.3
[M-H]-	240.03340	148.0
[M+Na-2H]-	262.01535	156.9
[M]+	241.04013	153.1
[M]-	241.04123	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe