CID 499787

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

Structural Information

Molecular Formula
C10H14FN2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F
InChI
InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
XJQFIHYTCPKUTK-JXOAFFINSA-N
Compound name
[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.04718 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05446 168.7
[M+Na]+ 363.03640 177.0
[M-H]- 339.03990 167.0
[M+NH4]+ 358.08100 177.8
[M+K]+ 379.01034 175.6
[M+H-H2O]+ 323.04444 159.2
[M+HCOO]- 385.04538 186.6
[M+CH3COO]- 399.06103 200.2
[M+Na-2H]- 361.02185 167.1
[M]+ 340.04663 169.3
[M]- 340.04773 169.3
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.