CID 5272846

[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl propyl hydrogen phosphate

Structural Information

Molecular Formula
C13H21N2O8P
SMILES
CCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C13H21N2O8P/c1-3-4-21-24(19,20)22-7-10-9(16)5-11(23-10)15-6-8(2)12(17)14-13(15)18/h6,9-11,16H,3-5,7H2,1-2H3,(H,19,20)(H,14,17,18)/t9-,10+,11+/m0/s1
InChIKey
KNVJKONLFGDEJG-HBNTYKKESA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.10355 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11083 178.5
[M+Na]+ 387.09277 185.1
[M-H]- 363.09627 178.6
[M+NH4]+ 382.13737 187.1
[M+K]+ 403.06671 184.3
[M+H-H2O]+ 347.10081 168.9
[M+HCOO]- 409.10175 198.1
[M+CH3COO]- 423.11740 207.0
[M+Na-2H]- 385.07822 177.2
[M]+ 364.10300 182.6
[M]- 364.10410 182.6
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.