CID 135538745
Tsao-inosine
Structural Information
- Molecular Formula
- C24H41N5O7SSi2
- SMILES
- CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3N=CNC4=O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
- InChI
- InChI=1S/C24H41N5O7SSi2/c1-22(2,3)38(7,8)33-11-16-24(15(25)12-37(31,32)36-24)18(35-39(9,10)23(4,5)6)21(34-16)29-14-28-17-19(29)26-13-27-20(17)30/h12-14,16,18,21H,11,25H2,1-10H3,(H,26,27,30)/t16-,18+,21-,24?/m1/s1
- InChIKey
- XKSVQSZEOXGUJB-HXDMYJPPSA-N
- Compound name
- 9-[(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]-1H-purin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 600.23378 | 233.5 |
[M+Na]+ | 622.21572 | 241.0 |
[M-H]- | 598.21922 | 239.6 |
[M+NH4]+ | 617.26032 | 240.5 |
[M+K]+ | 638.18966 | 242.4 |
[M+H-H2O]+ | 582.22376 | 232.0 |
[M+HCOO]- | 644.22470 | 237.4 |
[M+CH3COO]- | 658.24035 | 249.2 |
[M+Na-2H]- | 620.20117 | 238.4 |
[M]+ | 599.22595 | 244.2 |
[M]- | 599.22705 | 244.2 |
Literature stripe
Patent stripe
No patent data available for this compound.