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]+ 292.06928 160.4
[M+Na]+ 314.05122 166.8
[M-H]- 290.05472 161.3
[M+NH4]+ 309.09582 171.8
[M+K]+ 330.02516 166.4
[M+H-H2O]+ 274.05926 150.6
[M+HCOO]- 336.06020 182.9
[M+CH3COO]- 350.07585 195.3
[M+Na-2H]- 312.03667 161.6
[M]+ 291.06145 160.3
[M]- 291.06255 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.