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

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

ID: Reference9371

Other Names: Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5S)-5-(4-thiomorpholinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-372881

Formula: C21H32N4O2S

Spectral Data

1-(4-Methoxyphenyl)-3-{[(2R,4S,5S)-5-(4-thiomorpholinylmethyl)-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
No. of Spectral Trees 2
No. of Spectra 2144
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/14/2020 10:50:56 AM
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Identificators

InChI InChI=1S/C21H32N4O2S/c1-27-20-4-2-18(3-5-20)23-21(26)22-13-19-12-16-6-7-25(19)15-17(16)14-24-8-10-28-11-9-24/h2-5,16-17,19H,6-15H2,1H3,(H2,22,23,26)/t16-,17-,19+/m0/s1
InChI Key BFLCAQIGNXZBBA-JENIJYKNSA-N
Canonical SMILES COC1=CC=C(C=C1)NC(=O)NCC2CC3CCN2CC3CN4CCSCC4
CAS
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Other Names Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5S)-5-(4-thiomorpholinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-372881

In Other Databases

ChemSpider 21382098
PubChem 26742500