CID 465391

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

Structural Information

Molecular Formula
C25H46N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CC(=NC3=O)N(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H46N4O7SSi2/c1-23(2,3)38(9,10)33-15-18-25(17(26)16-37(31,32)36-25)20(35-39(11,12)24(4,5)6)21(34-18)29-14-13-19(28(7)8)27-22(29)30/h13-14,16,18,20-21H,15,26H2,1-12H3/t18-,20+,21-,25?/m1/s1
InChIKey
PJQDHRZLBLAEJU-WIWHLUPGSA-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]-4-(dimethylamino)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 229.5
[M+Na]+ 625.25182 234.4
[M-H]- 601.25532 237.8
[M+NH4]+ 620.29642 237.0
[M+K]+ 641.22576 237.5
[M+H-H2O]+ 585.25986 226.8
[M+HCOO]- 647.26080 236.4
[M+CH3COO]- 661.27645 259.4
[M+Na-2H]- 623.23727 235.1
[M]+ 602.26205 240.7
[M]- 602.26315 240.7
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.