CID 145999225

3-[(3r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-2-ynoxy-1-prop-2-ynyl-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C16H16FNO6
SMILES
C#CCN1C(=O)C(C=C(C1=O)OCC#C)C2[C@@H](C(C(O2)CO)O)F
InChI
InChI=1S/C16H16FNO6/c1-3-5-18-15(21)9(7-10(16(18)22)23-6-4-2)14-12(17)13(20)11(8-19)24-14/h1-2,7,9,11-14,19-20H,5-6,8H2/t9?,11?,12-,13?,14?/m1/s1
InChIKey
SGROMKOVFGAGOG-PSVAPKRXSA-N
Compound name
3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-1-prop-2-ynyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09616 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10344 166.0
[M+Na]+ 360.08538 176.1
[M-H]- 336.08888 166.4
[M+NH4]+ 355.12998 173.5
[M+K]+ 376.05932 171.2
[M+H-H2O]+ 320.09342 150.9
[M+HCOO]- 382.09436 169.7
[M+CH3COO]- 396.11001 224.5
[M+Na-2H]- 358.07083 162.1
[M]+ 337.09561 157.3
[M]- 337.09671 157.3
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.