CID 135681960

6-acetoxy-7-methoxy-3h-quinazolin-4-one

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC(=O)OC1=C(C=C2C(=C1)C(=O)NC=N2)OC
InChI
InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)
InChIKey
SOLQIFINSOHAQD-UHFFFAOYSA-N
Compound name
(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

522
Patents

234.06406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.4
[M+Na]+ 257.05328 157.8
[M-H]- 233.05678 148.8
[M+NH4]+ 252.09788 163.3
[M+K]+ 273.02722 155.0
[M+H-H2O]+ 217.06132 140.0
[M+HCOO]- 279.06226 167.2
[M+CH3COO]- 293.07791 188.1
[M+Na-2H]- 255.03873 154.2
[M]+ 234.06351 150.8
[M]- 234.06461 150.8
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