1-[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]-N-[4-(trifluoromethoxy)benzyl]methanamine

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Systematic / IUPAC Name: 1-[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

ID: Reference12000

Other Names: NAT13-337431

Formula: C18H25F3N2O

Spectral Data

1-[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]-N-[4-(trifluoromethoxy)benzyl]methanamine 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 590
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/28/2022 4:32:50 PM
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Identificators

InChI InChI=1S/C18H25F3N2O/c1-2-14-12-23-8-7-15(14)9-16(23)11-22-10-13-3-5-17(6-4-13)24-18(19,20)21/h3-6,14-16,22H,2,7-12H2,1H3/t14-,15-,16+/m0/s1
InChI Key NVHZDUYRDNEKQQ-HRCADAONSA-N
Canonical SMILES CCC1CN2CCC1CC2CNCC3=CC=C(C=C3)OC(F)(F)F
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Other Names NAT13-337431

In Other Databases

ChemSpider 21381082
ChEMBL CHEMBL3437224
PubChem 44716348