CID 3011339

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-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H49N3O8SSi2
SMILES
CCCN1C(=O)C(=CN(C1=O)[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)C
InChI
InChI=1S/C27H49N3O8SSi2/c1-13-14-29-22(31)18(2)15-30(24(29)32)23-21(37-41(11,12)26(6,7)8)27(19(28)17-39(33,34)38-27)20(36-23)16-35-40(9,10)25(3,4)5/h15,17,20-21,23H,13-14,16,28H2,1-12H3/t20-,21+,23-,27?/m1/s1
InChIKey
HRBWKDYKVIIJTC-HEXPWKSXSA-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-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

631.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.28518 235.7
[M+Na]+ 654.26712 241.8
[M-H]- 630.27062 243.0
[M+NH4]+ 649.31172 242.1
[M+K]+ 670.24106 243.6
[M+H-H2O]+ 614.27516 233.8
[M+HCOO]- 676.27610 240.7
[M+CH3COO]- 690.29175 261.2
[M+Na-2H]- 652.25257 239.9
[M]+ 631.27735 248.6
[M]- 631.27845 248.6
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.