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

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

ID: Reference12504

Other Names: NAT13-337703

Formula: C20H30N4O2

Spectral Data

1-{[(2R,4S,5S)-5-(4-Morpholinylmethyl)-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
No. of Spectral Trees 1
No. of Spectra 732
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:44:58 AM
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Identificators

InChI InChI=1S/C20H30N4O2/c25-20(22-18-4-2-1-3-5-18)21-13-19-12-16-6-7-24(19)15-17(16)14-23-8-10-26-11-9-23/h1-5,16-17,19H,6-15H2,(H2,21,22,25)/t16-,17-,19+/m0/s1
InChI Key XTNSIJFDDOBHFU-JENIJYKNSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)NC3=CC=CC=C3)CN4CCOCC4
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Other Names NAT13-337703

In Other Databases

ChEMBL CHEMBL3436991
ChemSpider 21381118
PubChem 28991009