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

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

ID: Reference9081

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339652

Formula: C27H34N6O

Spectral Data

1-(3-Cyanophenyl)-3-({(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)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 1849
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2019 11:26:10 AM
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Identificators

InChI InChI=1S/C27H34N6O/c28-17-21-5-4-6-24(15-21)30-27(34)29-18-26-16-22-9-10-33(26)20-23(22)19-31-11-13-32(14-12-31)25-7-2-1-3-8-25/h1-8,15,22-23,26H,9-14,16,18-20H2,(H2,29,30,34)/t22-,23-,26+/m0/s1
InChI Key DHSCNZPZIUFJEW-JCYRPKCISA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)NC3=CC=CC(=C3)C#N)CN4CCN(CC4)C5=CC=CC=C5
CAS
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Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339652

In Other Databases

PubChem 40780211
ChemSpider 21381574