CID 11121393

Ethyl 4-(6-methoxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C18H15NO6
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)OC)OC2=O
InChI
InChI=1S/C18H15NO6/c1-3-24-17(21)11-4-6-12(7-5-11)19-16(20)14-10-13(23-2)8-9-15(14)25-18(19)22/h4-10H,3H2,1-2H3
InChIKey
RYCAMIOAZBJOHN-UHFFFAOYSA-N
Compound name
ethyl 4-(6-methoxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.08994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 174.7
[M+Na]+ 364.07916 185.3
[M-H]- 340.08266 182.8
[M+NH4]+ 359.12376 186.5
[M+K]+ 380.05310 183.5
[M+H-H2O]+ 324.08720 165.2
[M+HCOO]- 386.08814 195.7
[M+CH3COO]- 400.10379 211.4
[M+Na-2H]- 362.06461 179.9
[M]+ 341.08939 182.6
[M]- 341.09049 182.6
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.