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]+ 249.08699 152.7
[M+Na]+ 271.06893 162.0
[M-H]- 247.07243 156.9
[M+NH4]+ 266.11353 168.1
[M+K]+ 287.04287 161.2
[M+H-H2O]+ 231.07697 145.3
[M+HCOO]- 293.07791 173.5
[M+CH3COO]- 307.09356 196.4
[M+Na-2H]- 269.05438 158.2
[M]+ 248.07916 156.1
[M]- 248.08026 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.