CID 16075357

N-[1-(3-diethoxyphosphoryl-4,5-dihydroisoxazol-5-yl)-2-oxo-pyrimidin-4-yl]acetamide

Structural Information

Molecular Formula
C13H19N4O6P
SMILES
CCOP(=O)(C1=NOC(C1)N2C=CC(=NC2=O)NC(=O)C)OCC
InChI
InChI=1S/C13H19N4O6P/c1-4-21-24(20,22-5-2)11-8-12(23-16-11)17-7-6-10(14-9(3)18)15-13(17)19/h6-7,12H,4-5,8H2,1-3H3,(H,14,15,18,19)
InChIKey
XHVGGLZATBGKIU-UHFFFAOYSA-N
Compound name
N-[1-(3-diethoxyphosphoryl-4,5-dihydro-1,2-oxazol-5-yl)-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.10422 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11150 178.9
[M+Na]+ 381.09344 185.4
[M-H]- 357.09694 181.6
[M+NH4]+ 376.13804 187.8
[M+K]+ 397.06738 185.8
[M+H-H2O]+ 341.10148 167.3
[M+HCOO]- 403.10242 202.9
[M+CH3COO]- 417.11807 214.1
[M+Na-2H]- 379.07889 179.7
[M]+ 358.10367 185.1
[M]- 358.10477 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.