CID 465386

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-5-(trifluoromethyl)uracil]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole 2'',2''-dioxide)

Structural Information

Molecular Formula
C24H40F3N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=C(C(=O)NC3=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H40F3N3O8SSi2/c1-21(2,3)40(7,8)35-12-16-23(15(28)13-39(33,34)38-23)17(37-41(9,10)22(4,5)6)19(36-16)30-11-14(24(25,26)27)18(31)29-20(30)32/h11,13,16-17,19H,12,28H2,1-10H3,(H,29,31,32)/t16-,17+,19-,23?/m1/s1
InChIKey
DWDCCSZKPSESGA-RPNIPRFFSA-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-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

643.2027 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.20998 232.0
[M+Na]+ 666.19192 238.4
[M-H]- 642.19542 234.5
[M+NH4]+ 661.23652 236.9
[M+K]+ 682.16586 239.7
[M+H-H2O]+ 626.19996 228.6
[M+HCOO]- 688.20090 232.2
[M+CH3COO]- 702.21655 256.8
[M+Na-2H]- 664.17737 238.4
[M]+ 643.20215 237.8
[M]- 643.20325 237.8
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.