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
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.
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 |
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 |