CID 5276922

[(3r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxymethylphosphonic acid

Structural Information

Molecular Formula
C9H14N3O6P
SMILES
C1[C@H](CO[C@H]1N2C=CC(=NC2=O)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N3O6P/c10-7-1-2-12(9(13)11-7)8-3-6(4-17-8)18-5-19(14,15)16/h1-2,6,8H,3-5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8-/m1/s1
InChIKey
IHIBPELLLRVCJS-HTRCEHHLSA-N
Compound name
[(3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.062 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.069276 160.4
[M+Na]+ 314.051218 166.8
[M-H]- 290.054724 161.3
[M+NH4]+ 309.095823 171.8
[M+K]+ 330.025158 166.4
[M+H-H2O]+ 274.059260 150.6
[M+HCOO]- 336.060201 182.9
[M+CH3COO]- 350.075851 195.3
[M+Na-2H]- 312.036666 161.6
[M]+ 291.06145142 160.3
[M]- 291.06254858 160.3
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.