CID 56183

6-acetyl-2,3-dihydro-alpha-methyl-3-oxo-4h-1,4-benzoxazine-4-acetic acid ethyl ester

Structural Information

Molecular Formula
C15H17NO5
SMILES
CCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C
InChI
InChI=1S/C15H17NO5/c1-4-20-15(19)9(2)16-12-7-11(10(3)17)5-6-13(12)21-8-14(16)18/h5-7,9H,4,8H2,1-3H3
InChIKey
PCDJMSRCWHEEOL-UHFFFAOYSA-N
Compound name
ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.1107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 164.3
[M+Na]+ 314.09992 175.1
[M+NH4]+ 309.14452 169.7
[M+K]+ 330.07386 171.6
[M-H]- 290.10342 165.0
[M+Na-2H]- 312.08537 166.1
[M]+ 291.11015 165.7
[M]- 291.11125 165.7
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.