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]+ 264.08666 154.7
[M+Na]+ 286.06860 162.6
[M-H]- 262.07210 158.5
[M+NH4]+ 281.11320 169.7
[M+K]+ 302.04254 162.3
[M+H-H2O]+ 246.07664 147.5
[M+HCOO]- 308.07758 172.3
[M+CH3COO]- 322.09323 197.0
[M+Na-2H]- 284.05405 158.7
[M]+ 263.07883 158.1
[M]- 263.07993 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.