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

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Systematic / IUPAC Name: 1-[[(2R,4S,5S)-5-[[Methyl(prop-2-enyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

ID: Reference9007

Other Names: Urea, N-[[(2R,4S,5S)-5-[(methyl-2-propen-1-ylamino)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]-;
NAT13-337724

Formula: C21H29F3N4O2

Spectral Data

1-{[(2R,4S,5S)-5-{[Allyl(methyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-[4-(trifluoromethoxy)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 2
No. of Spectra 2376
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:26:47 AM
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Identificators

InChI InChI=1S/C21H29F3N4O2/c1-3-9-27(2)13-16-14-28-10-8-15(16)11-18(28)12-25-20(29)26-17-4-6-19(7-5-17)30-21(22,23)24/h3-7,15-16,18H,1,8-14H2,2H3,(H2,25,26,29)/t15-,16-,18+/m0/s1
InChI Key NTLZADYHRXAGTG-XYJFISCASA-N
Canonical SMILES CN(CC=C)CC1CN2CCC1CC2CNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Other Names Urea, N-[[(2R,4S,5S)-5-[(methyl-2-propen-1-ylamino)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]-;
NAT13-337724

In Other Databases

ChemSpider 21381129
PubChem 25388766