1-Ethyl-3-{[(2R,4S,5R)-5-(2-methyl-6-phenyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea

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Systematic / IUPAC Name: 1-Ethyl-3-[[(2R,4S,5R)-5-(2-methyl-6-phenylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea

ID: Reference9332

Other Names: Urea, N-ethyl-N'-[[(2R,4S,5R)-5-(2-methyl-6-phenyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342491

Formula: C22H29N5O

Spectral Data

1-Ethyl-3-{[(2R,4S,5R)-5-(2-methyl-6-phenyl-4-pyrimidinyl)-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 1
No. of Spectra 229
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2020 8:34:58 AM
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Identificators

InChI InChI=1S/C22H29N5O/c1-3-23-22(28)24-13-18-11-17-9-10-27(18)14-19(17)21-12-20(25-15(2)26-21)16-7-5-4-6-8-16/h4-8,12,17-19H,3,9-11,13-14H2,1-2H3,(H2,23,24,28)/t17-,18+,19-/m0/s1
InChI Key WZTFHBMZNXGYSO-OTWHNJEPSA-N
Canonical SMILES CCNC(=O)NCC1CC2CCN1CC2C3=NC(=NC(=C3)C4=CC=CC=C4)C
CAS
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Other Names Urea, N-ethyl-N'-[[(2R,4S,5R)-5-(2-methyl-6-phenyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342491

In Other Databases

PubChem 26742380
ChemSpider 21381931