CID 453858

Tsao-a

Structural Information

Molecular Formula
C24H42N6O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H42N6O6SSi2/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)30-14-29-17-19(26)27-13-28-20(17)30/h12-14,16,18,21H,11,25H2,1-10H3,(H2,26,27,28)/t16-,18+,21-,24?/m1/s1
InChIKey
UGIUVNCPYJZJJA-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]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

598.2425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.24978 234.0
[M+Na]+ 621.23172 241.1
[M-H]- 597.23522 240.8
[M+NH4]+ 616.27632 241.2
[M+K]+ 637.20566 242.7
[M+H-H2O]+ 581.23976 231.8
[M+HCOO]- 643.24070 239.3
[M+CH3COO]- 657.25635 254.2
[M+Na-2H]- 619.21717 238.9
[M]+ 598.24195 244.0
[M]- 598.24305 244.0
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.