CID 56181

91119-95-8

Structural Information

Molecular Formula
C13H13NO5
SMILES
CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)OC
InChI
InChI=1S/C13H13NO5/c1-8(15)9-3-4-11-10(5-9)14(6-13(17)18-2)12(16)7-19-11/h3-5H,6-7H2,1-2H3
InChIKey
NFYSFNBYBHZWAL-UHFFFAOYSA-N
Compound name
methyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.086656 154.7
[M+Na]+ 286.068598 162.6
[M-H]- 262.072104 158.5
[M+NH4]+ 281.113203 169.7
[M+K]+ 302.042538 162.3
[M+H-H2O]+ 246.076640 147.5
[M+HCOO]- 308.077581 172.3
[M+CH3COO]- 322.093231 197.0
[M+Na-2H]- 284.054046 158.7
[M]+ 263.07883142 158.1
[M]- 263.07992858 158.1
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

No patent data available for this compound.