CID 453850

Spirooxathiolditbsribo-3etu

Structural Information

Molecular Formula
C25H45N3O8SSi2
SMILES
CCN1C(=O)C=CN(C1=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/c1-12-27-19(29)13-14-28(22(27)30)21-20(35-39(10,11)24(5,6)7)25(17(26)16-37(31,32)36-25)18(34-21)15-33-38(8,9)23(2,3)4/h13-14,16,18,20-21H,12,15,26H2,1-11H3/t18-,20+,21-,25?/m1/s1
InChIKey
VVJYYJWRMSKLBF-WIWHLUPGSA-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-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 229.0
[M+Na]+ 626.23582 235.3
[M-H]- 602.23932 236.4
[M+NH4]+ 621.28042 236.3
[M+K]+ 642.20976 237.2
[M+H-H2O]+ 586.24386 226.9
[M+HCOO]- 648.24480 234.7
[M+CH3COO]- 662.26045 254.3
[M+Na-2H]- 624.22127 234.2
[M]+ 603.24605 240.9
[M]- 603.24715 240.9
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.