CID 465392

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

Structural Information

Molecular Formula
C25H46N4O7SSi2
SMILES
CC1=CN(C(=O)N=C1NC)[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/C25H46N4O7SSi2/c1-16-13-29(22(30)28-20(16)27-8)21-19(35-39(11,12)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(9,10)23(2,3)4/h13,15,18-19,21H,14,26H2,1-12H3,(H,27,28,30)/t18-,19+,21-,25?/m1/s1
InChIKey
GOWHFCFXJZZQES-XNPIEGOSSA-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-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

602.2626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.26988 231.1
[M+Na]+ 625.25182 236.5
[M-H]- 601.25532 238.2
[M+NH4]+ 620.29642 238.2
[M+K]+ 641.22576 238.3
[M+H-H2O]+ 585.25986 228.5
[M+HCOO]- 647.26080 237.3
[M+CH3COO]- 661.27645 258.1
[M+Na-2H]- 623.23727 236.6
[M]+ 602.26205 241.4
[M]- 602.26315 241.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.