CID 468160

N-(n-(9-amino-3,6-dioxa-7,7-dioxo-1-(1,1,2,2-tetramethyl-1-silapropoxy)-4-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-7-thiaspiro[4.4]non-8-en-2-yl)carbamoyl)ethanamide

Structural Information

Molecular Formula
C22H43N3O8SSi2
SMILES
CC(=O)NC(=O)N[C@H]1C(C2(C(O1)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H43N3O8SSi2/c1-14(26)24-19(27)25-18-17(32-36(10,11)21(5,6)7)22(15(23)13-34(28,29)33-22)16(31-18)12-30-35(8,9)20(2,3)4/h13,16-18H,12,23H2,1-11H3,(H2,24,25,26,27)/t16?,17?,18-,22?/m1/s1
InChIKey
WVGFAFNOCFRBSF-OVCWQMANSA-N
Compound name
N-[[(8R)-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]carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

565.23096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.23824 217.8
[M+Na]+ 588.22018 219.5
[M-H]- 564.22368 222.6
[M+NH4]+ 583.26478 228.0
[M+K]+ 604.19412 223.1
[M+H-H2O]+ 548.22822 217.5
[M+HCOO]- 610.22916 225.4
[M+CH3COO]- 624.24481 250.6
[M+Na-2H]- 586.20563 225.1
[M]+ 565.23041 226.0
[M]- 565.23151 226.0
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.