CID 11204726

Ethanediamide, n-[(5r,6r,8r,9r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-4-yl]-n'-methyl-

Structural Information

Molecular Formula
C28H48N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)NC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H48N4O10SSi2/c1-17-14-32(25(36)31(9)23(17)35)24-20(41-45(12,13)27(5,6)7)28(19(40-24)15-39-44(10,11)26(2,3)4)18(16-43(37,38)42-28)30-22(34)21(33)29-8/h14,16,19-20,24H,15H2,1-13H3,(H,29,33)(H,30,34)/t19-,20+,24-,28-/m1/s1
InChIKey
GXQAENXASZMRGY-PCKBKVLSSA-N
Compound name
N'-[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

688.26294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.27022 241.9
[M+Na]+ 711.25216 224.7
[M-H]- 687.25566 249.4
[M+NH4]+ 706.29676 245.3
[M+K]+ 727.22610 249.7
[M+H-H2O]+ 671.26020 240.8
[M+HCOO]- 733.26114 246.8
[M+CH3COO]- 747.27679 272.7
[M+Na-2H]- 709.23761 232.2
[M]+ 688.26239 232.4
[M]- 688.26349 232.4
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.