CID 391449

Nsc690653

Structural Information

Molecular Formula
C13H14N2O4
SMILES
C1COCCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C13H14N2O4/c16-11(8-15-3-5-18-6-4-15)9-1-2-10-12(7-9)19-13(17)14-10/h1-2,7H,3-6,8H2,(H,14,17)
InChIKey
PGOSSGINMAXXBW-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-ylacetyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 155.5
[M+Na]+ 285.084588 163.4
[M-H]- 261.088094 160.4
[M+NH4]+ 280.129193 168.4
[M+K]+ 301.058528 161.8
[M+H-H2O]+ 245.092630 147.5
[M+HCOO]- 307.093571 172.0
[M+CH3COO]- 321.109221 167.0
[M+Na-2H]- 283.070036 160.4
[M]+ 262.09482142 155.8
[M]- 262.09591858 155.8
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.