CID 478330

{1-[(benzenesulfonyl-methyl-amino)-phenyl-(2-trimethylsilanyl-ethoxymethyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid, benzyl ester

Structural Information

Molecular Formula
C38H55N3O5SSi
SMILES
CCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)(COCC[Si](C)(C)C)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C38H55N3O5SSi/c1-6-41(37(42)46-30-33-16-10-7-11-17-33)35-22-25-40(26-23-35)27-24-38(34-18-12-8-13-19-34,32-45-28-29-48(3,4)5)31-39(2)47(43,44)36-20-14-9-15-21-36/h7-21,35H,6,22-32H2,1-5H3
InChIKey
IDZRSLJLAXFOOY-UHFFFAOYSA-N
Compound name
benzyl N-[1-[3-[[benzenesulfonyl(methyl)amino]methyl]-3-phenyl-4-(2-trimethylsilylethoxy)butyl]piperidin-4-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

693.36316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.37044 263.5
[M+Na]+ 716.35238 257.9
[M-H]- 692.35588 272.3
[M+NH4]+ 711.39698 260.2
[M+K]+ 732.32632 255.3
[M+H-H2O]+ 676.36042 249.7
[M+HCOO]- 738.36136 269.9
[M+CH3COO]- 752.37701 279.2
[M+Na-2H]- 714.33783 263.3
[M]+ 693.36261 267.4
[M]- 693.36371 267.4
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.