CID 391452

Nsc690656

Structural Information

Molecular Formula
C15H17N3O5
SMILES
C1COCCN1CC(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N
InChI
InChI=1S/C15H17N3O5/c16-14(20)9-18-11-2-1-10(7-13(11)23-15(18)21)12(19)8-17-3-5-22-6-4-17/h1-2,7H,3-6,8-9H2,(H2,16,20)
InChIKey
FSJNTAJRSLPAQQ-UHFFFAOYSA-N
Compound name
2-[6-(2-morpholin-4-ylacetyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11682 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 171.3
[M+Na]+ 342.10604 178.4
[M-H]- 318.10954 177.2
[M+NH4]+ 337.15064 181.9
[M+K]+ 358.07998 177.5
[M+H-H2O]+ 302.11408 162.6
[M+HCOO]- 364.11502 188.3
[M+CH3COO]- 378.13067 207.5
[M+Na-2H]- 340.09149 173.5
[M]+ 319.11627 173.0
[M]- 319.11737 173.0
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.