CID 16074569

1-[(1r,3r,4r,5r)-6-amino-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(1,1,2-trimethylpropyl)silyl]oxy-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H47N3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([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(C)C
InChI
InChI=1S/C26H47N3O8SSi2/c1-16(2)25(7,8)40(11,12)36-20-22(29-13-17(3)21(30)28-23(29)31)35-19(14-34-39(9,10)24(4,5)6)26(20)18(27)15-38(32,33)37-26/h13,15-16,19-20,22H,14,27H2,1-12H3,(H,28,30,31)/t19-,20+,22-,26-/m1/s1
InChIKey
FWHYLAFCPAZQTK-RVNGOIKDSA-N
Compound name
1-[(5R,6R,8R,9R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

617.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.26955 231.0
[M+Na]+ 640.25149 235.9
[M-H]- 616.25499 236.8
[M+NH4]+ 635.29609 236.9
[M+K]+ 656.22543 237.8
[M+H-H2O]+ 600.25953 229.5
[M+HCOO]- 662.26047 233.9
[M+CH3COO]- 676.27612 256.7
[M+Na-2H]- 638.23694 235.0
[M]+ 617.26172 241.0
[M]- 617.26282 241.0
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.