CID 454462

5et-2',5'silylspirou

Structural Information

Molecular Formula
C25H45N3O8SSi2
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H45N3O8SSi2/c1-12-16-13-28(22(30)27-20(16)29)21-19(35-39(10,11)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(8,9)23(2,3)4/h13,15,18-19,21H,12,14,26H2,1-11H3,(H,27,29,30)/t18-,19+,21-,25?/m1/s1
InChIKey
DDDGNCKKEZVOKH-XNPIEGOSSA-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]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

603.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.25388 229.6
[M+Na]+ 626.23582 235.4
[M-H]- 602.23932 235.6
[M+NH4]+ 621.28042 236.2
[M+K]+ 642.20976 236.7
[M+H-H2O]+ 586.24386 227.8
[M+HCOO]- 648.24480 233.8
[M+CH3COO]- 662.26045 252.5
[M+Na-2H]- 624.22127 234.5
[M]+ 603.24605 239.8
[M]- 603.24715 239.8
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.