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

ID: Reference9037

Other Names: Benzamide, N-[[(2R,4S,5S)-5-[[methyl(phenylmethyl)amino]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339340

Formula: C25H30F3N3O

Spectral Data

N-{[(2R,4S,5S)-5-{[Benzyl(methyl)amino]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 1973
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:33:48 AM
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Identificators

InChI InChI=1S/C25H30F3N3O/c1-30(15-18-5-3-2-4-6-18)16-21-17-31-12-11-20(21)13-23(31)14-29-24(32)19-7-9-22(10-8-19)25(26,27)28/h2-10,20-21,23H,11-17H2,1H3,(H,29,32)/t20-,21-,23+/m0/s1
InChI Key QSXMLSSSNIGXBN-QNWVGRARSA-N
Canonical SMILES CN(CC1CN2CCC1CC2CNC(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4
CAS
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Other Names Benzamide, N-[[(2R,4S,5S)-5-[[methyl(phenylmethyl)amino]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339340

In Other Databases

ChemSpider 21381286
PubChem 25388788