CID 455238

Tsao-dm^6a

Structural Information

Molecular Formula
C26H46N6O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4N(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H46N6O6SSi2/c1-24(2,3)40(9,10)35-13-18-26(17(27)14-39(33,34)38-26)20(37-41(11,12)25(4,5)6)23(36-18)32-16-30-19-21(31(7)8)28-15-29-22(19)32/h14-16,18,20,23H,13,27H2,1-12H3/t18-,20+,23-,26?/m1/s1
InChIKey
NZAIDGFRVXTEMS-OOHAZZCWSA-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]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

626.2738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.28108 239.6
[M+Na]+ 649.26302 245.9
[M-H]- 625.26652 247.9
[M+NH4]+ 644.30762 246.5
[M+K]+ 665.23696 248.8
[M+H-H2O]+ 609.27106 237.3
[M+HCOO]- 671.27200 245.4
[M+CH3COO]- 685.28765 262.6
[M+Na-2H]- 647.24847 244.3
[M]+ 626.27325 252.3
[M]- 626.27435 252.3
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.