CID 5271262

133040-38-7

Structural Information

Molecular Formula
C13H15N3O5S
SMILES
CC1=CSC(=N1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C13H15N3O5S/c1-6-5-22-12(14-6)7-3-16(13(20)15-11(7)19)10-2-8(18)9(4-17)21-10/h3,5,8-10,17-18H,2,4H2,1H3,(H,15,19,20)/t8-,9+,10+/m0/s1
InChIKey
UEVROUDNJQKVJJ-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.07324 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08052 171.2
[M+Na]+ 348.06246 181.7
[M-H]- 324.06596 176.0
[M+NH4]+ 343.10706 182.7
[M+K]+ 364.03640 177.5
[M+H-H2O]+ 308.07050 165.0
[M+HCOO]- 370.07144 183.4
[M+CH3COO]- 384.08709 181.9
[M+Na-2H]- 346.04791 167.3
[M]+ 325.07269 173.6
[M]- 325.07379 173.6
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.