1-[3-(Methylsulfanyl)phenyl]-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-Methylsulfanylphenyl)-3-[[(2R,4S,5S)-5-[(4-phenylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea

ID: Reference9146

Other Names: Urea, N-[3-(methylthio)phenyl]-N'-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339654

Formula: C27H37N5OS

Spectral Data

1-[3-(Methylsulfanyl)phenyl]-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 3673
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 12:23:25 PM
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Identificators

InChI InChI=1S/C27H37N5OS/c1-34-26-9-5-6-23(17-26)29-27(33)28-18-25-16-21-10-11-32(25)20-22(21)19-30-12-14-31(15-13-30)24-7-3-2-4-8-24/h2-9,17,21-22,25H,10-16,18-20H2,1H3,(H2,28,29,33)/t21-,22-,25+/m0/s1
InChI Key MMKHKFDEQQNXSO-WRALFONMSA-N
Canonical SMILES CSC1=CC=CC(=C1)NC(=O)NCC2CC3CCN2CC3CN4CCN(CC4)C5=CC=CC=C5
CAS
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Other Names Urea, N-[3-(methylthio)phenyl]-N'-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339654

In Other Databases

PubChem 40777193
ChemSpider 21381576