CID 15087558

Schembl10340211

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CSC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O4S/c1-17-6-3-11-10(15)12(4-6)9-2-7(14)8(5-13)16-9/h3-4,7-9,13-14H,2,5H2,1H3/t7-,8+,9+/m0/s1
InChIKey
KEIQSLRUOBLVRD-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

258.0674 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 154.6
[M+Na]+ 281.05662 163.9
[M-H]- 257.06012 157.6
[M+NH4]+ 276.10122 169.0
[M+K]+ 297.03056 161.1
[M+H-H2O]+ 241.06466 148.2
[M+HCOO]- 303.06560 167.8
[M+CH3COO]- 317.08125 187.2
[M+Na-2H]- 279.04207 154.3
[M]+ 258.06685 157.1
[M]- 258.06795 157.1
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