CID 64081

4(3h)-quinazolinone, 3-(o-hydroxybenzoyl)-, acetate, hemiacetate

Structural Information

Molecular Formula
C17H12N2O4
SMILES
CC(=O)OC1=CC=CC=C1C(=O)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H12N2O4/c1-11(20)23-15-9-5-3-7-13(15)17(22)19-10-18-14-8-4-2-6-12(14)16(19)21/h2-10H,1H3
InChIKey
IUAUEURATZEMSM-UHFFFAOYSA-N
Compound name
[2-(4-oxoquinazoline-3-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 168.2
[M+Na]+ 331.06892 177.4
[M-H]- 307.07242 173.6
[M+NH4]+ 326.11352 180.8
[M+K]+ 347.04286 173.5
[M+H-H2O]+ 291.07696 158.4
[M+HCOO]- 353.07790 187.8
[M+CH3COO]- 367.09355 204.1
[M+Na-2H]- 329.05437 173.5
[M]+ 308.07915 171.2
[M]- 308.08025 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.