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

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

ID: Reference9091

Other Names: Benzamide, N-[[(2R,4S,5S)-5-(1-piperidinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339490

Formula: C22H30F3N3O

Spectral Data

N-{[(2R,4S,5S)-5-(1-Piperidinylmethyl)-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 1857
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2019 8:11:00 AM
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Identificators

InChI InChI=1S/C22H30F3N3O/c23-22(24,25)19-6-4-16(5-7-19)21(29)26-13-20-12-17-8-11-28(20)15-18(17)14-27-9-2-1-3-10-27/h4-7,17-18,20H,1-3,8-15H2,(H,26,29)/t17-,18-,20+/m0/s1
InChI Key RZBGEYNTIZUXMF-CMKODMSKSA-N
Canonical SMILES C1CCN(CC1)CC2CN3CCC2CC3CNC(=O)C4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names Benzamide, N-[[(2R,4S,5S)-5-(1-piperidinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339490

In Other Databases

ChemSpider 21381419
PubChem 25389311