CID 5280125

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

Structural Information

Molecular Formula
C14H23N2O8P
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC(C)C)O
InChI
InChI=1S/C14H23N2O8P/c1-4-9-6-16(14(19)15-13(9)18)12-5-10(17)11(23-12)7-22-25(20,21)24-8(2)3/h6,8,10-12,17H,4-5,7H2,1-3H3,(H,20,21)(H,15,18,19)/t10-,11+,12+/m0/s1
InChIKey
GWJHILOQLOLXBM-QJPTWQEYSA-N
Compound name
[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1192 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12648 182.6
[M+Na]+ 401.10842 188.5
[M-H]- 377.11192 182.7
[M+NH4]+ 396.15302 190.7
[M+K]+ 417.08236 188.2
[M+H-H2O]+ 361.11646 173.2
[M+HCOO]- 423.11740 201.0
[M+CH3COO]- 437.13305 210.9
[M+Na-2H]- 399.09387 179.8
[M]+ 378.11865 186.5
[M]- 378.11975 186.5
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.