CID 930716

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

Structural Information

Molecular Formula
C13H8ClN3
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=N3)Cl
InChI
InChI=1S/C13H8ClN3/c14-12-9-5-1-2-6-10(9)16-13(17-12)11-7-3-4-8-15-11/h1-8H
InChIKey
WEQSCSKJHXQJOB-UHFFFAOYSA-N
Compound name
4-chloro-2-pyridin-2-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
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

literature stripe

Patent stripe

patents stripe