CID 743764

98296-25-4

Structural Information

Molecular Formula

C₁₃H₈ClN₃

SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)Cl

InChI

InChI=1S/C13H8ClN3/c14-12-10-5-1-2-6-11(10)16-13(17-12)9-4-3-7-15-8-9/h1-8H

InChIKey

TWEFNYVYEPIXIB-UHFFFAOYSA-N

Compound name

4-chloro-2-pyridin-3-ylquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 241.04068 Da
Monoisotopic Mass: 3.4
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	151.0
[M+Na]+	264.02990	170.2
[M+NH4]+	259.07450	160.9
[M+K]+	280.00384	160.2
[M-H]-	240.03340	155.9
[M+Na-2H]-	262.01535	162.7
[M]+	241.04013	155.8
[M]-	241.04123	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe