CID 455242

[7-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-n-ethylhypoxanthine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)

Structural Information

Molecular Formula
C26H45N5O7SSi2
SMILES
CCN1C=NC2=C(C1=O)N(C=N2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N5O7SSi2/c1-12-30-15-28-21-19(22(30)32)31(16-29-21)23-20(37-41(10,11)25(5,6)7)26(17(27)14-39(33,34)38-26)18(36-23)13-35-40(8,9)24(2,3)4/h14-16,18,20,23H,12-13,27H2,1-11H3/t18-,20+,23-,26?/m1/s1
InChIKey
JNKJKEXKQJQHDD-OOHAZZCWSA-N
Compound name
7-[(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]-1-ethylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

627.2578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.26508 240.8
[M+Na]+ 650.24702 248.5
[M-H]- 626.25052 248.1
[M+NH4]+ 645.29162 247.5
[M+K]+ 666.22096 250.2
[M+H-H2O]+ 610.25506 239.1
[M+HCOO]- 672.25600 245.3
[M+CH3COO]- 686.27165 257.7
[M+Na-2H]- 648.23247 244.7
[M]+ 627.25725 254.0
[M]- 627.25835 254.0
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.