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]+ 263.10265 155.5
[M+Na]+ 285.08459 163.4
[M-H]- 261.08809 160.4
[M+NH4]+ 280.12919 168.4
[M+K]+ 301.05853 161.8
[M+H-H2O]+ 245.09263 147.5
[M+HCOO]- 307.09357 172.0
[M+CH3COO]- 321.10922 167.0
[M+Na-2H]- 283.07004 160.4
[M]+ 262.09482 155.8
[M]- 262.09592 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.