CID 15958376

Hpmp-5fc

Structural Information

Molecular Formula
C8H13FN3O6P
SMILES
C1=C(C(=NC(=O)N1C[C@@H](CO)OCP(=O)(O)O)N)F
InChI
InChI=1S/C8H13FN3O6P/c9-6-2-12(8(14)11-7(6)10)1-5(3-13)18-4-19(15,16)17/h2,5,13H,1,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-/m0/s1
InChIKey
XYCHLDKLQUFLJD-YFKPBYRVSA-N
Compound name
[(2S)-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.0526 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05988 161.8
[M+Na]+ 320.04182 169.0
[M-H]- 296.04532 156.5
[M+NH4]+ 315.08642 172.2
[M+K]+ 336.01576 167.2
[M+H-H2O]+ 280.04986 151.5
[M+HCOO]- 342.05080 182.7
[M+CH3COO]- 356.06645 197.0
[M+Na-2H]- 318.02727 162.0
[M]+ 297.05205 161.8
[M]- 297.05315 161.8
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.