CID 1818144

2-chloro-6,7-dimethoxyquinazoline

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C2C(=C1)C=NC(=N2)Cl)OC
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-3-6-5-12-10(11)13-7(6)4-9(8)15-2/h3-5H,1-2H3
InChIKey
KIAYGSLXVNBIFE-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

137
Patents

224.03525 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.5
[M+Na]+ 247.02447 155.4
[M-H]- 223.02797 145.9
[M+NH4]+ 242.06907 161.6
[M+K]+ 262.99841 151.5
[M+H-H2O]+ 207.03251 136.5
[M+HCOO]- 269.03345 160.7
[M+CH3COO]- 283.04910 188.4
[M+Na-2H]- 245.00992 151.9
[M]+ 224.03470 149.5
[M]- 224.03580 149.5
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