CID 135538746

Tsao-7hx

Structural Information

Molecular Formula
C24H41N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3C(=O)NC=N4)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)29-14-28-19-17(29)20(30)27-13-26-19/h12-14,16,18,21H,11,25H2,1-10H3,(H,26,27,30)/t16-,18+,21-,24?/m1/s1
InChIKey
SQSGPPYNMICTHP-HXDMYJPPSA-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]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

599.2265 Da
Monoisotopic Mass

None
XlogP (predicted)

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
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.