CID 5280127

[(2r,3s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl methanesulfonate

Structural Information

Molecular Formula
C12H18N2O7S
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COS(=O)(=O)C)O
InChI
InChI=1S/C12H18N2O7S/c1-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(21-10)6-20-22(2,18)19/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)/t8-,9+,10+/m0/s1
InChIKey
PBXNFSJIYMHIRW-IVZWLZJFSA-N
Compound name
[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08347 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09075 171.0
[M+Na]+ 357.07269 180.2
[M-H]- 333.07619 174.1
[M+NH4]+ 352.11729 182.0
[M+K]+ 373.04663 177.6
[M+H-H2O]+ 317.08073 164.9
[M+HCOO]- 379.08167 182.9
[M+CH3COO]- 393.09732 200.0
[M+Na-2H]- 355.05814 171.1
[M]+ 334.08292 176.1
[M]- 334.08402 176.1
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.