CID 456093

(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[5-(methoxymethyl)triazol-1-yl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

Molecular Formula
C23H44N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=CN=N3)COC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H44N4O7SSi2/c1-21(2,3)36(8,9)31-14-18-23(17(24)15-35(28,29)34-23)19(33-37(10,11)22(4,5)6)20(32-18)27-16(13-30-7)12-25-26-27/h12,15,18-20H,13-14,24H2,1-11H3/t18-,19+,20-,23?/m1/s1
InChIKey
HEFBGDPRGSYXQT-MLJUJGDHSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[5-(methoxymethyl)triazol-1-yl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

576.24695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.25423 224.9
[M+Na]+ 599.23617 230.3
[M-H]- 575.23967 231.5
[M+NH4]+ 594.28077 233.8
[M+K]+ 615.21011 233.2
[M+H-H2O]+ 559.24421 223.8
[M+HCOO]- 621.24515 230.8
[M+CH3COO]- 635.26080 247.2
[M+Na-2H]- 597.22162 229.0
[M]+ 576.24640 236.6
[M]- 576.24750 236.6
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.