CID 500362

Nsc699328

Structural Information

Molecular Formula
C24H43N3O7SSi2
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)O
InChI
InChI=1S/C24H43N3O7SSi2/c1-22(2,3)36(7,8)32-13-16-24(26-15(14-35-24)20(29)30)18(34-37(9,10)23(4,5)6)19(33-16)27-12-11-17(28)25-21(27)31/h11-12,15-16,18-19,26H,13-14H2,1-10H3,(H,29,30)(H,25,28,31)/t15-,16+,18-,19+,24-/m0/s1
InChIKey
CDXKSZCXORNWQP-OZZOQKJQSA-N
Compound name
(3R,5S,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-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.236 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.24328 229.3
[M+Na]+ 596.22522 232.0
[M-H]- 572.22872 230.7
[M+NH4]+ 591.26982 233.9
[M+K]+ 612.19916 231.4
[M+H-H2O]+ 556.23326 226.2
[M+HCOO]- 618.23420 227.6
[M+CH3COO]- 632.24985 240.1
[M+Na-2H]- 594.21067 229.4
[M]+ 573.23545 233.4
[M]- 573.23655 233.4
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.