CID 743764

4-chloro-2-(pyridin-3-yl)quinazoline

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

95
Patents

241.04068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04796 150.6
[M+Na]+ 264.02990 161.7
[M-H]- 240.03340 154.0
[M+NH4]+ 259.07450 165.7
[M+K]+ 280.00384 154.9
[M+H-H2O]+ 224.03794 141.0
[M+HCOO]- 286.03888 166.2
[M+CH3COO]- 300.05453 162.8
[M+Na-2H]- 262.01535 160.5
[M]+ 241.04013 152.2
[M]- 241.04123 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe