CID 456106

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

Structural Information

Molecular Formula
C25H44N4O9SSi2
SMILES
CC(=O)NC1=CS(=O)(=O)OC12[C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(N=N3)C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O9SSi2/c1-16(30)26-18-15-39(32,33)38-25(18)19(14-35-40(9,10)23(2,3)4)36-21(20(25)37-41(11,12)24(5,6)7)29-13-17(27-28-29)22(31)34-8/h13,15,19-21H,14H2,1-12H3,(H,26,30)/t19-,20+,21-,25?/m1/s1
InChIKey
XBSSHUAHGTZQKX-UQJRMYRASA-N
Compound name
methyl 1-[(6R,8R,9R)-4-acetamido-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]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

632.23676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.24404 232.0
[M+Na]+ 655.22598 235.5
[M-H]- 631.22948 239.0
[M+NH4]+ 650.27058 238.4
[M+K]+ 671.19992 240.3
[M+H-H2O]+ 615.23402 232.1
[M+HCOO]- 677.23496 236.7
[M+CH3COO]- 691.25061 256.3
[M+Na-2H]- 653.21143 236.8
[M]+ 632.23621 245.4
[M]- 632.23731 245.4
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.