CID 16075359

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

Structural Information

Molecular Formula
C12H17FN3O6P
SMILES
CCOP(=O)(C1=NOC(C1)CN2C=C(C(=O)NC2=O)F)OCC
InChI
InChI=1S/C12H17FN3O6P/c1-3-20-23(19,21-4-2)10-5-8(22-15-10)6-16-7-9(13)11(17)14-12(16)18/h7-8H,3-6H2,1-2H3,(H,14,17,18)
InChIKey
AKBYMSJHENNUMD-UHFFFAOYSA-N
Compound name
1-[(3-diethoxyphosphoryl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0839 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09118 174.7
[M+Na]+ 372.07312 183.3
[M-H]- 348.07662 175.0
[M+NH4]+ 367.11772 184.0
[M+K]+ 388.04706 182.0
[M+H-H2O]+ 332.08116 163.0
[M+HCOO]- 394.08210 196.4
[M+CH3COO]- 408.09775 207.4
[M+Na-2H]- 370.05857 174.6
[M]+ 349.08335 179.6
[M]- 349.08445 179.6
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.