CID 449076

3,4-dihydro-2'-deoxyuridine-5'-monophosphate

Structural Information

Molecular Formula
C9H15N2O8P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O
InChI
InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1
InChIKey
ILSIYJVILUIVPM-LXGUWJNJSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-[(6R)-6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0566 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06388 165.3
[M+Na]+ 333.04582 169.6
[M-H]- 309.04932 162.1
[M+NH4]+ 328.09042 174.2
[M+K]+ 349.01976 169.0
[M+H-H2O]+ 293.05386 156.6
[M+HCOO]- 355.05480 180.1
[M+CH3COO]- 369.07045 191.1
[M+Na-2H]- 331.03127 163.9
[M]+ 310.05605 161.9
[M]- 310.05715 161.9
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.