CID 496708

Nsc697596

Structural Information

Molecular Formula
C24H44N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)NC(CS2=O)C(=O)N
InChI
InChI=1S/C24H44N4O7SSi2/c1-22(2,3)37(7,8)33-13-16-24(27-15(19(25)30)14-36(24)32)18(35-38(9,10)23(4,5)6)20(34-16)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)
InChIKey
QBHUPKZQYWVZNW-UHFFFAOYSA-N
Compound name
9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2,4-dioxopyrimidin-1-yl)-1-oxo-7-oxa-1lambda4-thia-4-azaspiro[4.4]nonane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.24695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.25423 232.0
[M+Na]+ 611.23617 235.0
[M-H]- 587.23967 234.4
[M+NH4]+ 606.28077 236.2
[M+K]+ 627.21011 234.4
[M+H-H2O]+ 571.24421 228.7
[M+HCOO]- 633.24515 232.2
[M+CH3COO]- 647.26080 247.9
[M+Na-2H]- 609.22162 232.2
[M]+ 588.24640 235.8
[M]- 588.24750 235.8
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.