1-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]urea

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference8893

Other Names: Urea, N-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]-;
NAT13-337393

Formula: C18H24F3N3O

Spectral Data

1-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]urea 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 1
No. of Spectra 914
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/9/2019 6:25:01 AM
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Identificators

InChI InChI=1S/C18H24F3N3O/c1-2-12-11-24-7-6-13(12)8-16(24)10-22-17(25)23-15-5-3-4-14(9-15)18(19,20)21/h3-5,9,12-13,16H,2,6-8,10-11H2,1H3,(H2,22,23,25)/t12-,13-,16+/m0/s1
InChI Key HWKAXYWOANYZSR-HEHGZKQESA-N
Canonical SMILES CCC1CN2CCC1CC2CNC(=O)NC3=CC=CC(=C3)C(F)(F)F
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]-;
NAT13-337393

In Other Databases

ChemSpider 10117627
ChEMBL CHEMBL3437416
PubChem 11943308