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]+ 309.086976 168.2
[M+Na]+ 331.068918 177.4
[M-H]- 307.072424 173.6
[M+NH4]+ 326.113523 180.8
[M+K]+ 347.042858 173.5
[M+H-H2O]+ 291.076960 158.4
[M+HCOO]- 353.077901 187.8
[M+CH3COO]- 367.093551 204.1
[M+Na-2H]- 329.054366 173.5
[M]+ 308.07915142 171.2
[M]- 308.08024858 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.