CID 5274141

[(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-fluoro-phosphinic acid

Structural Information

Molecular Formula
C9H13FN3O5P
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)F)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13FN3O5P/c10-19(15,16)17-5-6-1-2-8(18-6)13-4-3-7(11)12-9(13)14/h3-4,6,8H,1-2,5H2,(H,15,16)(H2,11,12,14)/t6-,8+/m0/s1
InChIKey
OJTFMBIMYUQCLM-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-fluorophosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.05768 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06496 160.3
[M+Na]+ 316.04690 167.5
[M-H]- 292.05040 161.1
[M+NH4]+ 311.09150 172.4
[M+K]+ 332.02084 166.7
[M+H-H2O]+ 276.05494 149.4
[M+HCOO]- 338.05588 183.0
[M+CH3COO]- 352.07153 197.8
[M+Na-2H]- 314.03235 161.0
[M]+ 293.05713 159.5
[M]- 293.05823 159.5
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.