CID 49768213

Ethyl 4-(2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C17H13NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H13NO5/c1-2-22-16(20)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)23-17(18)21/h3-10H,2H2,1H3
InChIKey
ICBHFDIRMVBYRS-UHFFFAOYSA-N
Compound name
ethyl 4-(2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 167.3
[M+Na]+ 334.06860 177.8
[M-H]- 310.07210 175.2
[M+NH4]+ 329.11320 180.3
[M+K]+ 350.04254 175.4
[M+H-H2O]+ 294.07664 158.1
[M+HCOO]- 356.07758 188.6
[M+CH3COO]- 370.09323 204.9
[M+Na-2H]- 332.05405 173.6
[M]+ 311.07883 173.1
[M]- 311.07993 173.1
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

No patent data available for this compound.