CID 479263

(2r, 5s)-4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-fluoro-2(1h)-pyridinone

Structural Information

Molecular Formula
C9H11FN2O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(C(=CC2=O)N)F
InChI
InChI=1S/C9H11FN2O3S/c10-5-2-12(7(14)1-6(5)11)8-4-16-9(3-13)15-8/h1-2,8-9,13H,3-4,11H2/t8-,9+/m0/s1
InChIKey
JDFURBGHFKMOJM-DTWKUNHWSA-N
Compound name
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.04744 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05472 149.1
[M+Na]+ 269.03666 158.6
[M-H]- 245.04016 153.0
[M+NH4]+ 264.08126 165.5
[M+K]+ 285.01060 155.5
[M+H-H2O]+ 229.04470 142.1
[M+HCOO]- 291.04564 164.5
[M+CH3COO]- 305.06129 188.7
[M+Na-2H]- 267.02211 148.9
[M]+ 246.04689 148.4
[M]- 246.04799 148.4
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.