CID 454933

[(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl methyl hydrogen phosphate

Structural Information

Molecular Formula
C10H14N3O6P
SMILES
COP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H14N3O6P/c1-17-20(15,16)18-6-7-2-3-9(19-7)13-5-4-8(11)12-10(13)14/h2-5,7,9H,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1
InChIKey
MMQMEINXHDFGRC-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.062 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06928 163.1
[M+Na]+ 326.05122 170.5
[M-H]- 302.05472 165.6
[M+NH4]+ 321.09582 174.8
[M+K]+ 342.02516 170.5
[M+H-H2O]+ 286.05926 152.8
[M+HCOO]- 348.06020 188.1
[M+CH3COO]- 362.07585 200.1
[M+Na-2H]- 324.03667 165.1
[M]+ 303.06145 166.5
[M]- 303.06255 166.5
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.