1-({(2R,4S,5S)-5-[(4-Benzyl-1-piperidinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(3-cyanophenyl)urea

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

ID: Reference9031

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339552

Formula: C29H37N5O

Spectral Data

1-({(2R,4S,5S)-5-[(4-Benzyl-1-piperidinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(3-cyanophenyl)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 2125
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 7:34:44 AM
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Identificators

InChI InChI=1S/C29H37N5O/c30-18-24-7-4-8-27(16-24)32-29(35)31-19-28-17-25-11-14-34(28)21-26(25)20-33-12-9-23(10-13-33)15-22-5-2-1-3-6-22/h1-8,16,23,25-26,28H,9-15,17,19-21H2,(H2,31,32,35)/t25-,26-,28+/m0/s1
InChI Key NYKVJOJAYHLLPW-UNCTUWKVSA-N
Canonical SMILES C1CN(CCC1CC2=CC=CC=C2)CC3CN4CCC3CC4CNC(=O)NC5=CC=CC(=C5)C#N
CAS
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Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339552

In Other Databases

PubChem 40780192
ChemSpider 21381478