CID 18925078

4-chloro-7-methoxyquinazoline

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
COC1=CC2=C(C=C1)C(=NC=N2)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
InChIKey
GUQZHZBMDPEBQG-UHFFFAOYSA-N
Compound name
4-chloro-7-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

194.02469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 136.1
[M+Na]+ 217.01391 152.8
[M+NH4]+ 212.05851 145.7
[M+K]+ 232.98785 144.6
[M-H]- 193.01741 138.7
[M+Na-2H]- 214.99936 144.8
[M]+ 194.02414 139.6
[M]- 194.02524 139.6
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