CID 6481577

[1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H15N2O9P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)COP(=O)(O)O)CO)O
InChI
InChI=1S/C10H15N2O9P/c13-3-7-6(14)1-8(21-7)12-2-5(4-20-22(17,18)19)9(15)11-10(12)16/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey
SGZHHVWMCBRSMC-XLPZGREQSA-N
Compound name
[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.0515 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05878 168.6
[M+Na]+ 361.04072 175.1
[M-H]- 337.04422 166.5
[M+NH4]+ 356.08532 176.7
[M+K]+ 377.01466 174.2
[M+H-H2O]+ 321.04876 159.6
[M+HCOO]- 383.04970 186.2
[M+CH3COO]- 397.06535 196.7
[M+Na-2H]- 359.02617 168.1
[M]+ 338.05095 169.4
[M]- 338.05205 169.4
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.