CID 465388

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-6-cyanouracil]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole 2'',2''-dioxide)

Structural Information

Molecular Formula
C24H40N4O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=CC(=O)NC3=O)C#N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H40N4O8SSi2/c1-22(2,3)38(7,8)33-13-17-24(16(26)14-37(31,32)36-24)19(35-39(9,10)23(4,5)6)20(34-17)28-15(12-25)11-18(29)27-21(28)30/h11,14,17,19-20H,13,26H2,1-10H3,(H,27,29,30)/t17-,19+,20-,24?/m1/s1
InChIKey
JDQPULKCEIJAFK-QCHRJCRNSA-N
Compound name
3-[(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]-2,6-dioxopyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

600.2105 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.21778 236.8
[M+Na]+ 623.19972 244.5
[M-H]- 599.20322 241.3
[M+NH4]+ 618.24432 242.2
[M+K]+ 639.17366 244.6
[M+H-H2O]+ 583.20776 227.3
[M+HCOO]- 645.20870 238.8
[M+CH3COO]- 659.22435 255.6
[M+Na-2H]- 621.18517 240.0
[M]+ 600.20995 239.8
[M]- 600.21105 239.8
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.