CID 456091

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-5-(methylcarbonyl)-1,2,3-triazole]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole 2'',2''-dioxide)

Structural Information

Molecular Formula
C23H42N4O7SSi2
SMILES
CC(=O)C1=CN=NN1[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H42N4O7SSi2/c1-15(28)16-12-25-26-27(16)20-19(33-37(10,11)22(5,6)7)23(17(24)14-35(29,30)34-23)18(32-20)13-31-36(8,9)21(2,3)4/h12,14,18-20H,13,24H2,1-11H3/t18-,19+,20-,23?/m1/s1
InChIKey
NCJHNWMABKGUIQ-MLJUJGDHSA-N
Compound name
1-[3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.23126 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.23854 222.8
[M+Na]+ 597.22048 228.1
[M-H]- 573.22398 229.5
[M+NH4]+ 592.26508 231.6
[M+K]+ 613.19442 231.1
[M+H-H2O]+ 557.22852 222.3
[M+HCOO]- 619.22946 227.9
[M+CH3COO]- 633.24511 247.3
[M+Na-2H]- 595.20593 226.2
[M]+ 574.23071 233.3
[M]- 574.23181 233.3
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.