CID 146000375

3-[(3r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-2-ynoxy-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C13H14FNO6
SMILES
C#CCOC1=CC(C(=O)NC1=O)C2[C@@H](C(C(O2)CO)O)F
InChI
InChI=1S/C13H14FNO6/c1-2-3-20-7-4-6(12(18)15-13(7)19)11-9(14)10(17)8(5-16)21-11/h1,4,6,8-11,16-17H,3,5H2,(H,15,18,19)/t6?,8?,9-,10?,11?/m1/s1
InChIKey
KMRDNPDVFFWVAR-WZLNGYMUSA-N
Compound name
3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0805 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08778 158.7
[M+Na]+ 322.06972 168.2
[M-H]- 298.07322 157.9
[M+NH4]+ 317.11432 169.6
[M+K]+ 338.04366 163.9
[M+H-H2O]+ 282.07776 145.9
[M+HCOO]- 344.07870 167.3
[M+CH3COO]- 358.09435 202.3
[M+Na-2H]- 320.05517 156.3
[M]+ 299.07995 150.8
[M]- 299.08105 150.8
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.