CID 165414022

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

Structural Information

Molecular Formula
C14H22N3O7P
SMILES
CC1=CN(C(=O)N=C1N2CCCC2)[C@H]3CC([C@H](O3)COP(=O)(O)O)O
InChI
InChI=1S/C14H22N3O7P/c1-9-7-17(14(19)15-13(9)16-4-2-3-5-16)12-6-10(18)11(24-12)8-23-25(20,21)22/h7,10-12,18H,2-6,8H2,1H3,(H2,20,21,22)/t10?,11-,12-/m1/s1
InChIKey
SEIDWXFJAMMHDS-PQDIPPBSSA-N
Compound name
[(2R,5R)-3-hydroxy-5-(5-methyl-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

375.11954 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12682 181.7
[M+Na]+ 398.10876 186.3
[M-H]- 374.11226 183.7
[M+NH4]+ 393.15336 189.8
[M+K]+ 414.08270 185.8
[M+H-H2O]+ 358.11680 171.9
[M+HCOO]- 420.11774 198.4
[M+CH3COO]- 434.13339 208.2
[M+Na-2H]- 396.09421 177.3
[M]+ 375.11899 181.1
[M]- 375.12009 181.1
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.