CID 465387

[tert-butyl(dimethyl)silyl]oxy-[[tert-butyl(dimethyl)silyl]oxymethyl]-dioxo-[?]dione

Structural Information

Molecular Formula
C23H39N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C23[C@H]([C@@H](O1)N4C(=CC(=O)NC4=O)NC2=CS(=O)(=O)O3)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H39N3O8SSi2/c1-21(2,3)36(7,8)31-12-15-23-14(13-35(29,30)34-23)24-16-11-17(27)25-20(28)26(16)19(32-15)18(23)33-37(9,10)22(4,5)6/h11,13,15,18-19,24H,12H2,1-10H3,(H,25,27,28)/t15-,18+,19-,23?/m1/s1
InChIKey
MUHWUOXVZSFWGZ-PTQNSGSSSA-N
Compound name
(13R,15R,16R)-16-[tert-butyl(dimethyl)silyl]oxy-15-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dioxo-2,14-dioxa-3lambda6-thia-6,10,12-triazatetracyclo[11.2.1.01,5.07,12]hexadeca-4,7-diene-9,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

573.19965 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.20693 231.0
[M+Na]+ 596.18887 236.6
[M-H]- 572.19237 232.6
[M+NH4]+ 591.23347 239.2
[M+K]+ 612.16281 240.1
[M+H-H2O]+ 556.19691 228.1
[M+HCOO]- 618.19785 229.3
[M+CH3COO]- 632.21350 241.5
[M+Na-2H]- 594.17432 238.1
[M]+ 573.19910 239.1
[M]- 573.20020 239.1
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.