CID 15885804

Schembl27477973

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](C)C(=O)OC
InChI
InChI=1S/C13H14N2O4/c1-7-5-4-6-9-10(7)12(17)19-13(15-9)14-8(2)11(16)18-3/h4-6,8H,1-3H3,(H,14,15)/t8-/m0/s1
InChIKey
MRDMEXFTESAYHY-QMMMGPOBSA-N
Compound name
methyl (2S)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 156.7
[M+Na]+ 285.08459 165.5
[M-H]- 261.08809 161.2
[M+NH4]+ 280.12919 171.8
[M+K]+ 301.05853 164.8
[M+H-H2O]+ 245.09263 149.0
[M+HCOO]- 307.09357 177.8
[M+CH3COO]- 321.10922 200.0
[M+Na-2H]- 283.07004 162.7
[M]+ 262.09482 161.4
[M]- 262.09592 161.4
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