CID 146001249

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

Structural Information

Molecular Formula
C16H16FNO5
SMILES
C#CCN1C(=O)C(C=C(C1=O)OCC#C)C2CC(C(O2)CO)F
InChI
InChI=1S/C16H16FNO5/c1-3-5-18-15(20)10(7-13(16(18)21)22-6-4-2)12-8-11(17)14(9-19)23-12/h1-2,7,10-12,14,19H,5-6,8-9H2
InChIKey
BEFBSPIHUFTSHL-UHFFFAOYSA-N
Compound name
3-[4-fluoro-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

321.10126 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10854 163.4
[M+Na]+ 344.09048 173.6
[M-H]- 320.09398 164.4
[M+NH4]+ 339.13508 171.7
[M+K]+ 360.06442 168.3
[M+H-H2O]+ 304.09852 148.0
[M+HCOO]- 366.09946 168.1
[M+CH3COO]- 380.11511 223.5
[M+Na-2H]- 342.07593 160.2
[M]+ 321.10071 154.7
[M]- 321.10181 154.7
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.