CID 453849

3dimeallyl-2',5'disilylspirot

Structural Information

Molecular Formula
C29H51N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC=C(C)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H51N3O8SSi2/c1-19(2)14-15-31-24(33)20(3)16-32(26(31)34)25-23(39-43(12,13)28(7,8)9)29(21(30)18-41(35,36)40-29)22(38-25)17-37-42(10,11)27(4,5)6/h14,16,18,22-23,25H,15,17,30H2,1-13H3/t22-,23+,25-,29?/m1/s1
InChIKey
CLRYOESCHWZLHF-LHTBOPMYSA-N
Compound name
1-[(6R,8R,9R)-4-amino-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-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

657.2935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.30078 240.7
[M+Na]+ 680.28272 245.8
[M-H]- 656.28622 247.7
[M+NH4]+ 675.32732 245.9
[M+K]+ 696.25666 247.5
[M+H-H2O]+ 640.29076 239.1
[M+HCOO]- 702.29170 244.3
[M+CH3COO]- 716.30735 266.3
[M+Na-2H]- 678.26817 243.5
[M]+ 657.29295 252.9
[M]- 657.29405 252.9
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.