CID 3011360

Schembl9085991

Structural Information

Molecular Formula
C10H13FN2O3S
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C10H13FN2O3S/c1-5-3-13(10(17)12-9(5)15)8-2-6(11)7(4-14)16-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,17)/t6-,7+,8+/m0/s1
InChIKey
FTAGYCOPYIJZGF-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

260.06308 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07036 153.7
[M+Na]+ 283.05230 164.4
[M-H]- 259.05580 155.7
[M+NH4]+ 278.09690 168.3
[M+K]+ 299.02624 160.0
[M+H-H2O]+ 243.06034 146.8
[M+HCOO]- 305.06128 165.8
[M+CH3COO]- 319.07693 188.2
[M+Na-2H]- 281.03775 151.9
[M]+ 260.06253 153.4
[M]- 260.06363 153.4
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

patents stripe