CID 3011362

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

Structural Information

Molecular Formula
C10H14FN2O5PS
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)O)F
InChI
InChI=1S/C10H14FN2O5PS/c1-5-3-13(10(20)12-9(5)14)8-2-6(11)7(18-8)4-19(15,16)17/h3,6-8H,2,4H2,1H3,(H,12,14,20)(H2,15,16,17)/t6-,7+,8+/m0/s1
InChIKey
DTZPSRWWINCYRU-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-3-fluoro-5-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.03452 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04180 166.5
[M+Na]+ 347.02374 175.3
[M-H]- 323.02724 165.8
[M+NH4]+ 342.06834 177.8
[M+K]+ 362.99768 171.6
[M+H-H2O]+ 307.03178 157.4
[M+HCOO]- 369.03272 181.3
[M+CH3COO]- 383.04837 197.1
[M+Na-2H]- 345.00919 162.6
[M]+ 324.03397 166.3
[M]- 324.03507 166.3
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.