CID 465390

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

Structural Information

Molecular Formula
C24H44N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CC(=NC3=O)NC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H44N4O7SSi2/c1-22(2,3)37(8,9)32-14-17-24(16(25)15-36(30,31)35-24)19(34-38(10,11)23(4,5)6)20(33-17)28-13-12-18(26-7)27-21(28)29/h12-13,15,17,19-20H,14,25H2,1-11H3,(H,26,27,29)/t17-,19+,20-,24?/m1/s1
InChIKey
KRASIMOWYZZCQK-QCHRJCRNSA-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-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

588.24695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.25423 227.8
[M+Na]+ 611.23617 232.9
[M-H]- 587.23967 234.8
[M+NH4]+ 606.28077 235.2
[M+K]+ 627.21011 234.8
[M+H-H2O]+ 571.24421 225.0
[M+HCOO]- 633.24515 234.4
[M+CH3COO]- 647.26080 253.9
[M+Na-2H]- 609.22162 234.0
[M]+ 588.24640 237.4
[M]- 588.24750 237.4
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.