CID 165414218

[(2r,5r)-3-hydroxy-5-(2-oxo-4-pyrrolidin-1-yl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C13H20N3O7P
SMILES
C1CCN(C1)C2=NC(=O)N(C=C2)[C@H]3CC([C@H](O3)COP(=O)(O)O)O
InChI
InChI=1S/C13H20N3O7P/c17-9-7-12(23-10(9)8-22-24(19,20)21)16-6-3-11(14-13(16)18)15-4-1-2-5-15/h3,6,9-10,12,17H,1-2,4-5,7-8H2,(H2,19,20,21)/t9?,10-,12-/m1/s1
InChIKey
HJJVHUMMLWYDRA-GTFYECCDSA-N
Compound name
[(2R,5R)-3-hydroxy-5-(2-oxo-4-pyrrolidin-1-ylpyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.10388 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11116 176.7
[M+Na]+ 384.09310 180.9
[M-H]- 360.09660 178.4
[M+NH4]+ 379.13770 185.0
[M+K]+ 400.06704 180.5
[M+H-H2O]+ 344.10114 166.6
[M+HCOO]- 406.10208 193.8
[M+CH3COO]- 420.11773 203.8
[M+Na-2H]- 382.07855 173.4
[M]+ 361.10333 175.3
[M]- 361.10443 175.3
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.