CID 504596

Methyl 2-(2-amino-4-oxo-3,1-benzoxazin-7-yl)propanoate

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC(C1=CC2=C(C=C1)C(=O)OC(=N2)N)C(=O)OC
InChI
InChI=1S/C12H12N2O4/c1-6(10(15)17-2)7-3-4-8-9(5-7)14-12(13)18-11(8)16/h3-6H,1-2H3,(H2,13,14)
InChIKey
KSDROMITWZBWFP-UHFFFAOYSA-N
Compound name
methyl 2-(2-amino-4-oxo-3,1-benzoxazin-7-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 152.7
[M+Na]+ 271.068928 162.0
[M-H]- 247.072434 156.9
[M+NH4]+ 266.113533 168.1
[M+K]+ 287.042868 161.2
[M+H-H2O]+ 231.076970 145.3
[M+HCOO]- 293.077911 173.5
[M+CH3COO]- 307.093561 196.4
[M+Na-2H]- 269.054376 158.2
[M]+ 248.07916142 156.1
[M]- 248.08025858 156.1
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.