N-({(2R,4S,5S)-5-[(4-Benzyl-1-piperidinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide

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Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[(4-Benzylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide

ID: Reference9092

Other Names: Benzamide, N-[[(2R,4S,5S)-5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339540

Formula: C29H36F3N3O

Spectral Data

N-({(2R,4S,5S)-5-[(4-Benzyl-1-piperidinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 2355
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2019 8:11:47 AM
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Identificators

InChI InChI=1S/C29H36F3N3O/c30-29(31,32)26-8-6-23(7-9-26)28(36)33-18-27-17-24-12-15-35(27)20-25(24)19-34-13-10-22(11-14-34)16-21-4-2-1-3-5-21/h1-9,22,24-25,27H,10-20H2,(H,33,36)/t24-,25-,27+/m0/s1
InChI Key HHKWFISFVBRPEW-OHSXHVKISA-N
Canonical SMILES C1CN(CCC1CC2=CC=CC=C2)CC3CN4CCC3CC4CNC(=O)C5=CC=C(C=C5)C(F)(F)F
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Other Names Benzamide, N-[[(2R,4S,5S)-5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339540

In Other Databases

PubChem 40779690
ChemSpider 21381467