CID 456088

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

Structural Information

Molecular Formula
C24H48N4O6SSi3
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=C(N=N3)[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H48N4O6SSi3/c1-22(2,3)37(10,11)31-15-18-24(17(25)16-35(29,30)34-24)20(33-38(12,13)23(4,5)6)21(32-18)28-14-19(26-27-28)36(7,8)9/h14,16,18,20-21H,15,25H2,1-13H3/t18-,20+,21-,24?/m1/s1
InChIKey
ZYLYWKGICFOBCY-LKPPKUIPSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-8-(4-trimethylsilyltriazol-1-yl)-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

604.26025 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.26753 229.3
[M+Na]+ 627.24947 234.2
[M-H]- 603.25297 235.6
[M+NH4]+ 622.29407 237.7
[M+K]+ 643.22341 237.0
[M+H-H2O]+ 587.25751 228.7
[M+HCOO]- 649.25845 232.8
[M+CH3COO]- 663.27410 251.2
[M+Na-2H]- 625.23492 234.3
[M]+ 604.25970 239.5
[M]- 604.26080 239.5
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.