CID 453845

Tsao-me^3-t

Structural Information

Molecular Formula
C25H45N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[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/c1-16-13-28(22(30)27(8)20(16)29)21-19(35-39(11,12)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(9,10)23(2,3)4/h13,15,18-19,21H,14,26H2,1-12H3/t18-,19+,21-,25?/m1/s1
InChIKey
KZKYYGSZDVZKNJ-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]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
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 227.7
[M+Na]+ 626.23582 234.7
[M-H]- 602.23932 235.4
[M+NH4]+ 621.28042 235.3
[M+K]+ 642.20976 236.8
[M+H-H2O]+ 586.24386 226.1
[M+HCOO]- 648.24480 233.4
[M+CH3COO]- 662.26045 255.7
[M+Na-2H]- 624.22127 232.6
[M]+ 603.24605 240.0
[M]- 603.24715 240.0
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.