CID 16074571

Chembl4648211

Structural Information

Molecular Formula
C24H42N2O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[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/C24H42N2O8SSi2/c1-16-14-26(21(28)25-19(16)27)20-18(33-37(10,11)23(5,6)7)24(12-13-35(29,30)34-24)17(32-20)15-31-36(8,9)22(2,3)4/h12-14,17-18,20H,15H2,1-11H3,(H,25,27,28)/t17-,18+,20-,24-/m1/s1
InChIKey
LPZDNJBTCRDGFW-DSPLJNTKSA-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]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

574.22003 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.22731 221.6
[M+Na]+ 597.20925 228.4
[M-H]- 573.21275 228.3
[M+NH4]+ 592.25385 229.9
[M+K]+ 613.18319 229.9
[M+H-H2O]+ 557.21729 219.9
[M+HCOO]- 619.21823 226.1
[M+CH3COO]- 633.23388 243.3
[M+Na-2H]- 595.19470 227.1
[M]+ 574.21948 232.8
[M]- 574.22058 232.8
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.