CID 453846

Tsao-e3t

Structural Information

Molecular Formula
C26H47N3O8SSi2
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)C
InChI
InChI=1S/C26H47N3O8SSi2/c1-13-28-21(30)17(2)14-29(23(28)31)22-20(36-40(11,12)25(6,7)8)26(18(27)16-38(32,33)37-26)19(35-22)15-34-39(9,10)24(3,4)5/h14,16,19-20,22H,13,15,27H2,1-12H3/t19-,20+,22-,26?/m1/s1
InChIKey
DCKXSLGGHRSIFU-SACATOBUSA-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-ethyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
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 231.8
[M+Na]+ 640.25149 238.3
[M-H]- 616.25499 239.2
[M+NH4]+ 635.29609 238.7
[M+K]+ 656.22543 240.2
[M+H-H2O]+ 600.25953 230.0
[M+HCOO]- 662.26047 237.1
[M+CH3COO]- 676.27612 258.5
[M+Na-2H]- 638.23694 236.2
[M]+ 617.26172 244.3
[M]- 617.26282 244.3
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.