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]+ 263.102646 156.7
[M+Na]+ 285.084588 165.5
[M-H]- 261.088094 161.2
[M+NH4]+ 280.129193 171.8
[M+K]+ 301.058528 164.8
[M+H-H2O]+ 245.092630 149.0
[M+HCOO]- 307.093571 177.8
[M+CH3COO]- 321.109221 200.0
[M+Na-2H]- 283.070036 162.7
[M]+ 262.09482142 161.4
[M]- 262.09591858 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