CID 453851

Tsao-u

Structural Information

Molecular Formula
C23H41N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H41N3O8SSi2/c1-21(2,3)36(7,8)31-13-16-23(15(24)14-35(29,30)34-23)18(33-37(9,10)22(4,5)6)19(32-16)26-12-11-17(27)25-20(26)28/h11-12,14,16,18-19H,13,24H2,1-10H3,(H,25,27,28)/t16-,18+,19-,23?/m1/s1
InChIKey
CQGFUGDUYYXHKN-BVSLTHQCSA-N
Compound name
1-[(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]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

575.2153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.22258 222.6
[M+Na]+ 598.20452 228.6
[M-H]- 574.20802 228.7
[M+NH4]+ 593.24912 230.1
[M+K]+ 614.17846 230.1
[M+H-H2O]+ 558.21256 220.7
[M+HCOO]- 620.21350 227.6
[M+CH3COO]- 634.22915 245.5
[M+Na-2H]- 596.18997 228.6
[M]+ 575.21475 231.8
[M]- 575.21585 231.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.