CID 11953387

Chembl1766951

Structural Information

Molecular Formula
C25H44N2O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@@]3(C=CS(=O)(=O)O3)[C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N2O8SSi2/c1-17-15-27(22(29)26(8)20(17)28)21-19(34-38(11,12)24(5,6)7)25(13-14-36(30,31)35-25)18(33-21)16-32-37(9,10)23(2,3)4/h13-15,18-19,21H,16H2,1-12H3/t18-,19+,21-,25-/m1/s1
InChIKey
KWNABQFHRWDPTL-XDSPWSPCSA-N
Compound name
1-[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

588.2357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.24298 223.3
[M+Na]+ 611.22492 230.8
[M-H]- 587.22842 231.4
[M+NH4]+ 606.26952 232.0
[M+K]+ 627.19886 233.0
[M+H-H2O]+ 571.23296 221.6
[M+HCOO]- 633.23390 228.9
[M+CH3COO]- 647.24955 249.4
[M+Na-2H]- 609.21037 228.4
[M]+ 588.23515 237.0
[M]- 588.23625 237.0
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.