CID 135434784

[(2r,3s,4r,5r)-5-(5-amino-2,7-dioxo-6h-thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate

Structural Information

Molecular Formula
C10H13N5O8S2
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)SC2=O)O)O)OS(=O)(=O)N
InChI
InChI=1S/C10H13N5O8S2/c11-9-13-6-5(7(18)14-9)24-10(19)15(6)8-4(17)3(16)2(23-8)1-22-25(12,20)21/h2-4,8,16-17H,1H2,(H2,12,20,21)(H3,11,13,14,18)/t2-,3-,4-,8-/m1/s1
InChIKey
BEXCRCZKUTWKFG-FCLHUMLKSA-N
Compound name
[(2R,3S,4R,5R)-5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.02057 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.02785 180.9
[M+Na]+ 418.00979 190.9
[M-H]- 394.01329 182.4
[M+NH4]+ 413.05439 189.3
[M+K]+ 433.98373 186.9
[M+H-H2O]+ 378.01783 176.9
[M+HCOO]- 440.01877 188.3
[M+CH3COO]- 454.03442 212.9
[M+Na-2H]- 415.99524 181.7
[M]+ 395.02002 185.1
[M]- 395.02112 185.1
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.