CID 3011931

Chembl5408475

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC1=CN(C(=O)NC1=O)[C@]2(C[C@@H]([C@H](S2)CO)O)C
InChI
InChI=1S/C11H16N2O4S/c1-6-4-13(10(17)12-9(6)16)11(2)3-7(15)8(5-14)18-11/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,17)/t7-,8+,11+/m0/s1
InChIKey
LUQQWORQDTUIAP-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methylthiolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.08307 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 157.0
[M+Na]+ 295.07229 167.2
[M-H]- 271.07579 158.3
[M+NH4]+ 290.11689 173.6
[M+K]+ 311.04623 162.2
[M+H-H2O]+ 255.08033 151.9
[M+HCOO]- 317.08127 169.2
[M+CH3COO]- 331.09692 187.9
[M+Na-2H]- 293.05774 156.4
[M]+ 272.08252 157.7
[M]- 272.08362 157.7
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

No patent data available for this compound.