CID 3011341

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-3-phenethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C32H51N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCC2=CC=CC=C2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C32H51N3O8SSi2/c1-22-19-35(29(37)34(27(22)36)18-17-23-15-13-12-14-16-23)28-26(42-46(10,11)31(5,6)7)32(24(33)21-44(38,39)43-32)25(41-28)20-40-45(8,9)30(2,3)4/h12-16,19,21,25-26,28H,17-18,20,33H2,1-11H3/t25-,26+,28-,32?/m1/s1
InChIKey
SELFORVPMFTKKG-RYJJLEPLSA-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-(2-phenylethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

693.2935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.30078 253.1
[M+Na]+ 716.28272 258.2
[M-H]- 692.28622 263.3
[M+NH4]+ 711.32732 256.3
[M+K]+ 732.25666 259.7
[M+H-H2O]+ 676.29076 248.9
[M+HCOO]- 738.29170 257.8
[M+CH3COO]- 752.30735 271.4
[M+Na-2H]- 714.26817 256.5
[M]+ 693.29295 265.0
[M]- 693.29405 265.0
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.