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

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Systematic / IUPAC Name: 1-[[(2R,4S,5S)-5-[[Benzyl(methyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-thiophen-3-ylurea

ID: Reference9010

Other Names: Urea, N-[[(2R,4S,5S)-5-[[methyl(phenylmethyl)amino]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-3-thienyl-;
NAT13-339350

Formula: C22H30N4OS

Spectral Data

1-{[(2R,4S,5S)-5-{[Benzyl(methyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-(3-thienyl)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 2423
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:40:30 AM
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Identificators

InChI InChI=1S/C22H30N4OS/c1-25(13-17-5-3-2-4-6-17)14-19-15-26-9-7-18(19)11-21(26)12-23-22(27)24-20-8-10-28-16-20/h2-6,8,10,16,18-19,21H,7,9,11-15H2,1H3,(H2,23,24,27)/t18-,19-,21+/m0/s1
InChI Key RTBHLJKQSWRYRT-IRFCIJBXSA-N
Canonical SMILES CN(CC1CN2CCC1CC2CNC(=O)NC3=CSC=C3)CC4=CC=CC=C4
CAS
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Other Names Urea, N-[[(2R,4S,5S)-5-[[methyl(phenylmethyl)amino]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-3-thienyl-;
NAT13-339350

In Other Databases

PubChem 25388796
ChemSpider 21381294