CID 496247

Nsc683329

Structural Information

Molecular Formula
C10H13FN2O3S
SMILES
CSC1=NC(=O)N(C=C1)[C@@H]2C[C@H]([C@@H](O2)CO)F
InChI
InChI=1S/C10H13FN2O3S/c1-17-8-2-3-13(10(15)12-8)9-4-6(11)7(5-14)16-9/h2-3,6-7,9,14H,4-5H2,1H3/t6-,7+,9+/m1/s1
InChIKey
QZUVUIPORGHWFO-FJXKBIBVSA-N
Compound name
1-[(2S,4R,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

260.06308 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07036 153.4
[M+Na]+ 283.05230 163.5
[M-H]- 259.05580 156.4
[M+NH4]+ 278.09690 168.5
[M+K]+ 299.02624 160.6
[M+H-H2O]+ 243.06034 145.9
[M+HCOO]- 305.06128 166.9
[M+CH3COO]- 319.07693 190.0
[M+Na-2H]- 281.03775 152.8
[M]+ 260.06253 155.3
[M]- 260.06363 155.3
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.