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 163.7
[M+Na]+ 314.09992 170.5
[M-H]- 290.10342 167.3
[M+NH4]+ 309.14452 177.5
[M+K]+ 330.07386 170.3
[M+H-H2O]+ 274.10796 156.4
[M+HCOO]- 336.10890 179.6
[M+CH3COO]- 350.12455 203.9
[M+Na-2H]- 312.08537 165.6
[M]+ 291.11015 167.2
[M]- 291.11125 167.2
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

patents stripe