CID 10027244

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

Structural Information

Molecular Formula
C18H29N3O7SSi
SMILES
C[C@@H]1C2([C@H]([C@@H](O1)N3C=C(C(=O)NC3=O)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C18H29N3O7SSi/c1-10-8-21(16(23)20-14(10)22)15-13(27-30(6,7)17(3,4)5)18(11(2)26-15)12(19)9-29(24,25)28-18/h8-9,11,13,15H,19H2,1-7H3,(H,20,22,23)/t11-,13+,15-,18?/m1/s1
InChIKey
QGPFGZJNMSGLPJ-KQQHWDFZSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.14954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15682 197.4
[M+Na]+ 482.13876 207.4
[M-H]- 458.14226 204.7
[M+NH4]+ 477.18336 209.4
[M+K]+ 498.11270 206.9
[M+H-H2O]+ 442.14680 194.9
[M+HCOO]- 504.14774 207.2
[M+CH3COO]- 518.16339 226.9
[M+Na-2H]- 480.12421 200.0
[M]+ 459.14899 205.0
[M]- 459.15009 205.0
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.