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

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

ID: Reference11496

Other Names: NAT13-339440

Formula: C21H28F3N3O

Spectral Data

N-{[(2R,4S,5S)-5-(1-Pyrrolidinylmethyl)-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 1
No. of Spectra 1059
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 11:04:55 AM
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Identificators

InChI InChI=1S/C21H28F3N3O/c22-21(23,24)18-5-3-15(4-6-18)20(28)25-12-19-11-16-7-10-27(19)14-17(16)13-26-8-1-2-9-26/h3-6,16-17,19H,1-2,7-14H2,(H,25,28)/t16-,17-,19+/m0/s1
InChI Key MVDNTCKVTXVYBA-JENIJYKNSA-N
Canonical SMILES C1CCN(C1)CC2CN3CCC2CC3CNC(=O)C4=CC=C(C=C4)C(F)(F)F
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Other Names NAT13-339440

In Other Databases

PubChem 40779644
ChemSpider 21381372