CID 11759168

Ethyl 4-(7-methyl-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C18H15NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C)OC2=O
InChI
InChI=1S/C18H15NO5/c1-3-23-17(21)12-5-7-13(8-6-12)19-16(20)14-9-4-11(2)10-15(14)24-18(19)22/h4-10H,3H2,1-2H3
InChIKey
QOFPCZYTFNBIAG-UHFFFAOYSA-N
Compound name
ethyl 4-(7-methyl-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.09503 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 172.0
[M+Na]+ 348.08425 182.9
[M-H]- 324.08775 180.1
[M+NH4]+ 343.12885 184.6
[M+K]+ 364.05819 180.3
[M+H-H2O]+ 308.09229 162.8
[M+HCOO]- 370.09323 192.8
[M+CH3COO]- 384.10888 209.2
[M+Na-2H]- 346.06970 177.0
[M]+ 325.09448 178.5
[M]- 325.09558 178.5
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.