CID 135796465

3-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl acetate

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC(=O)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C16H12N2O3/c1-10(19)21-12-6-4-5-11(9-12)15-17-14-8-3-2-7-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20)
InChIKey
RAPQKVQJRFXKQJ-UHFFFAOYSA-N
Compound name
[3-(4-oxo-3H-quinazolin-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

280.08478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 162.4
[M+Na]+ 303.07400 171.8
[M-H]- 279.07750 166.5
[M+NH4]+ 298.11860 175.7
[M+K]+ 319.04794 166.6
[M+H-H2O]+ 263.08204 153.1
[M+HCOO]- 325.08298 181.5
[M+CH3COO]- 339.09863 173.7
[M+Na-2H]- 301.05945 168.8
[M]+ 280.08423 163.3
[M]- 280.08533 163.3
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