N-({(2R,4S,5S)-5-[(4-Phenyl-1-piperazinyl)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-Phenylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide

ID: Reference9394

Other Names: Benzamide, N-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339640

Formula: C27H33F3N4O

Spectral Data

N-({(2R,4S,5S)-5-[(4-Phenyl-1-piperazinyl)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
No. of Spectral Trees 2
No. of Spectra 2939
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2020 1:17:33 PM
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Identificators

InChI InChI=1S/C27H33F3N4O/c28-27(29,30)23-8-6-20(7-9-23)26(35)31-17-25-16-21-10-11-34(25)19-22(21)18-32-12-14-33(15-13-32)24-4-2-1-3-5-24/h1-9,21-22,25H,10-19H2,(H,31,35)/t21-,22-,25+/m0/s1
InChI Key NPWVORCQCKTBEX-WRALFONMSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C5=CC=CC=C5
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Other Names Benzamide, N-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339640

In Other Databases

PubChem 40776854
ChemSpider 21381562