CID 453855

Spirooxathiolditbsriboc

Structural Information

Molecular Formula
C23H44N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CC(NC3=O)N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H44N4O7SSi2/c1-21(2,3)36(7,8)31-13-16-23(15(24)14-35(29,30)34-23)18(33-37(9,10)22(4,5)6)19(32-16)27-12-11-17(25)26-20(27)28/h11-12,14,16-19H,13,24-25H2,1-10H3,(H,26,28)/t16-,17?,18+,19-,23?/m1/s1
InChIKey
DQVBCEQZPZCWHM-ZDSBVPGZSA-N
Compound name
6-amino-3-[(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]-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

576.24695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.25423 224.3
[M+Na]+ 599.23617 227.5
[M-H]- 575.23967 228.6
[M+NH4]+ 594.28077 231.0
[M+K]+ 615.21011 228.9
[M+H-H2O]+ 559.24421 222.5
[M+HCOO]- 621.24515 226.4
[M+CH3COO]- 635.26080 249.7
[M+Na-2H]- 597.22162 228.6
[M]+ 576.24640 228.4
[M]- 576.24750 228.4
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.