CID 56179

Brn 4516341

Structural Information

Molecular Formula
C14H15NO5
SMILES
CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C
InChI
InChI=1S/C14H15NO5/c1-3-19-14(18)7-15-11-6-10(9(2)16)4-5-12(11)20-8-13(15)17/h4-6H,3,7-8H2,1-2H3
InChIKey
XCKOXVMXFRSHCG-UHFFFAOYSA-N
Compound name
ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.09503 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 160.5
[M+Na]+ 300.08425 171.9
[M+NH4]+ 295.12885 166.2
[M+K]+ 316.05819 167.7
[M-H]- 276.08775 161.5
[M+Na-2H]- 298.06970 162.8
[M]+ 277.09448 162.1
[M]- 277.09558 162.1
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