CID 469278

Nsc694926

Structural Information

Molecular Formula
C24H44N4O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CS2)C(=O)N
InChI
InChI=1S/C24H44N4O6SSi2/c1-22(2,3)36(7,8)32-13-16-24(27-15(14-35-24)19(25)30)18(34-37(9,10)23(4,5)6)20(33-16)28-12-11-17(29)26-21(28)31/h11-12,15-16,18,20,27H,13-14H2,1-10H3,(H2,25,30)(H,26,29,31)/t15-,16+,18-,20+,24+/m0/s1
InChIKey
WCFPEMXOHGWFJH-NISSAYFKSA-N
Compound name
(3R,5R,6R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2,4-dioxopyrimidin-1-yl)-7-oxa-1-thia-4-azaspiro[4.4]nonane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

572.252 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.25928 230.3
[M+Na]+ 595.24122 232.8
[M-H]- 571.24472 232.5
[M+NH4]+ 590.28582 235.1
[M+K]+ 611.21516 231.9
[M+H-H2O]+ 555.24926 226.6
[M+HCOO]- 617.25020 230.2
[M+CH3COO]- 631.26585 244.8
[M+Na-2H]- 593.22667 230.3
[M]+ 572.25145 233.0
[M]- 572.25255 233.0
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.