CID 6481574

Schembl9742697

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CS)CO)O
InChI
InChI=1S/C10H14N2O5S/c13-3-7-6(14)1-8(17-7)12-2-5(4-18)9(15)11-10(12)16/h2,6-8,13-14,18H,1,3-4H2,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
YOKDHETVWLQNQD-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(sulfanylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

274.06235 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 157.7
[M+Na]+ 297.05157 167.3
[M-H]- 273.05507 159.5
[M+NH4]+ 292.09617 170.8
[M+K]+ 313.02551 163.6
[M+H-H2O]+ 257.05961 151.6
[M+HCOO]- 319.06055 169.6
[M+CH3COO]- 333.07620 187.9
[M+Na-2H]- 295.03702 156.4
[M]+ 274.06180 159.4
[M]- 274.06290 159.4
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.