CID 12684341

2-chloro-4-methoxyquinazoline

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
COC1=NC(=NC2=CC=CC=C21)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H,1H3
InChIKey
CIAADIPJOLLZFK-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

194.02469 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 135.8
[M+Na]+ 217.013908 147.3
[M-H]- 193.017414 138.0
[M+NH4]+ 212.058513 154.9
[M+K]+ 232.987848 143.1
[M+H-H2O]+ 177.021950 129.0
[M+HCOO]- 239.022891 153.2
[M+CH3COO]- 253.038541 149.7
[M+Na-2H]- 214.999356 145.5
[M]+ 194.02414142 139.6
[M]- 194.02523858 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