CID 6482589

1-[(3r,5s)-3-(diethoxyphosphorylmethyl)-2-methyl-isoxazolidin-5-yl]-5-fluoro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H21FN3O6P
SMILES
CCOP(=O)(C[C@H]1C[C@H](ON1C)N2C=C(C(=O)NC2=O)F)OCC
InChI
InChI=1S/C13H21FN3O6P/c1-4-21-24(20,22-5-2)8-9-6-11(23-16(9)3)17-7-10(14)12(18)15-13(17)19/h7,9,11H,4-6,8H2,1-3H3,(H,15,18,19)/t9-,11+/m1/s1
InChIKey
IWHHYNDGPSCCFM-KOLCDFICSA-N
Compound name
1-[(3R,5S)-3-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1152 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12248 180.6
[M+Na]+ 388.10442 188.6
[M-H]- 364.10792 180.7
[M+NH4]+ 383.14902 189.4
[M+K]+ 404.07836 187.4
[M+H-H2O]+ 348.11246 169.1
[M+HCOO]- 410.11340 200.5
[M+CH3COO]- 424.12905 212.1
[M+Na-2H]- 386.08987 178.5
[M]+ 365.11465 184.8
[M]- 365.11575 184.8
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.