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

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

ID: Reference9089

Other Names: Urea, N-[[(2R,4S,5S)-5-[(4-methyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-;
NAT13-339601

Formula: C21H33N5O

Spectral Data

1-({(2R,4S,5S)-5-[(4-Methyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-phenylurea 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 1785
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2019 8:09:09 AM
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Identificators

InChI InChI=1S/C21H33N5O/c1-24-9-11-25(12-10-24)15-18-16-26-8-7-17(18)13-20(26)14-22-21(27)23-19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3,(H2,22,23,27)/t17-,18-,20+/m0/s1
InChI Key SWUOOCSEWWUPBO-CMKODMSKSA-N
Canonical SMILES CN1CCN(CC1)CC2CN3CCC2CC3CNC(=O)NC4=CC=CC=C4
CAS
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Other Names Urea, N-[[(2R,4S,5S)-5-[(4-methyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-;
NAT13-339601

In Other Databases

PubChem 44716394
ChemSpider 21381526