CID 5274318

[(2r,5r)-4-acetoxy-5-(2,4-dioxopyrimidin-1-yl)-2-(isopropylsulfamoyloxymethyl)tetrahydrofuran-3-yl] acetate

Structural Information

Molecular Formula
C16H23N3O10S
SMILES
CC(C)NS(=O)(=O)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23N3O10S/c1-8(2)18-30(24,25)26-7-11-13(27-9(3)20)14(28-10(4)21)15(29-11)19-6-5-12(22)17-16(19)23/h5-6,8,11,13-15,18H,7H2,1-4H3,(H,17,22,23)/t11-,13?,14?,15-/m1/s1
InChIKey
AFRFMBFDUIJWBZ-GALLPEHLSA-N
Compound name
[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1104 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11768 194.4
[M+Na]+ 472.09962 199.4
[M-H]- 448.10312 198.2
[M+NH4]+ 467.14422 200.1
[M+K]+ 488.07356 200.0
[M+H-H2O]+ 432.10766 187.3
[M+HCOO]- 494.10860 205.3
[M+CH3COO]- 508.12425 226.7
[M+Na-2H]- 470.08507 192.8
[M]+ 449.10985 202.8
[M]- 449.11095 202.8
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.