CID 10392547

[1-(2'-o-tert-butyldimethylsilyll-5'-c-cyclohexyl-5'-deoxy-.beta.-d-ribofuranosyl)thymine]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)

Structural Information

Molecular Formula
C24H39N3O7SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CC4CCCCC4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H39N3O7SSi/c1-15-13-27(22(29)26-20(15)28)21-19(33-36(5,6)23(2,3)4)24(17(25)14-35(30,31)34-24)18(32-21)12-16-10-8-7-9-11-16/h13-14,16,18-19,21H,7-12,25H2,1-6H3,(H,26,28,29)/t18-,19+,21-,24?/m1/s1
InChIKey
ATFAXIHTKCHZCG-FVYFYLNTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(cyclohexylmethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

541.2278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.23508 220.5
[M+Na]+ 564.21702 226.3
[M-H]- 540.22052 229.1
[M+NH4]+ 559.26162 228.4
[M+K]+ 580.19096 225.5
[M+H-H2O]+ 524.22506 216.4
[M+HCOO]- 586.22600 225.5
[M+CH3COO]- 600.24165 241.9
[M+Na-2H]- 562.20247 219.9
[M]+ 541.22725 223.7
[M]- 541.22835 223.7
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.