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

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

ID: Reference9057

Other Names: Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332247

Formula: C26H31N5O2

Spectral Data

1-(4-Methoxyphenyl)-3-{[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-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 3294
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 11:07:15 AM
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Identificators

InChI InChI=1S/C26H31N5O2/c1-30-25(15-24(29-30)18-6-4-3-5-7-18)23-17-31-13-12-19(23)14-21(31)16-27-26(32)28-20-8-10-22(33-2)11-9-20/h3-11,15,19,21,23H,12-14,16-17H2,1-2H3,(H2,27,28,32)/t19-,21+,23-/m0/s1
InChI Key JEAXPXKRWFVKBI-WPYKKVEZSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CC=C2)C3CN4CCC3CC4CNC(=O)NC5=CC=C(C=C5)OC
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Other Names Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332247

In Other Databases

PubChem 40780134
ChemSpider 21380801