CID 3011361

[(2r,3s,5r)-3-fluoro-5-(5-methyl-4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H14FN2O6PS
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F
InChI
InChI=1S/C10H14FN2O6PS/c1-5-3-13(10(21)12-9(5)14)8-2-6(11)7(19-8)4-18-20(15,16)17/h3,6-8H,2,4H2,1H3,(H,12,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1
InChIKey
IRIGPSWJGXABKM-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.02942 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03670 168.5
[M+Na]+ 363.01864 176.9
[M-H]- 339.02214 167.8
[M+NH4]+ 358.06324 179.0
[M+K]+ 378.99258 174.0
[M+H-H2O]+ 323.02668 159.3
[M+HCOO]- 385.02762 183.5
[M+CH3COO]- 399.04327 199.5
[M+Na-2H]- 361.00409 165.2
[M]+ 340.02887 169.8
[M]- 340.02997 169.8
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.