CID 16075356

1-(3-diethoxyphosphoryl-4,5-dihydroisoxazol-5-yl)-5-fluoro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15FN3O6P
SMILES
CCOP(=O)(C1=NOC(C1)N2C=C(C(=O)NC2=O)F)OCC
InChI
InChI=1S/C11H15FN3O6P/c1-3-19-22(18,20-4-2)8-5-9(21-14-8)15-6-7(12)10(16)13-11(15)17/h6,9H,3-5H2,1-2H3,(H,13,16,17)
InChIKey
ZANJILGOXFLEIM-UHFFFAOYSA-N
Compound name
1-(3-diethoxyphosphoryl-4,5-dihydro-1,2-oxazol-5-yl)-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.06824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07552 170.1
[M+Na]+ 358.05746 179.1
[M-H]- 334.06096 170.6
[M+NH4]+ 353.10206 179.9
[M+K]+ 374.03140 178.0
[M+H-H2O]+ 318.06550 158.6
[M+HCOO]- 380.06644 192.1
[M+CH3COO]- 394.08209 204.4
[M+Na-2H]- 356.04291 170.5
[M]+ 335.06769 174.6
[M]- 335.06879 174.6
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.