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

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-(5-Cyclohexyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-ethylurea

ID: Reference9039

Other Names: Urea, N-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-ethyl-;
NAT13-333671

Formula: C21H35N5O

Spectral Data

1-{[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-ethylurea 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 1
No. of Spectra 1146
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:37:30 AM
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Identificators

InChI InChI=1S/C21H35N5O/c1-3-22-21(27)23-13-17-11-16-9-10-26(17)14-18(16)20-12-19(24-25(20)2)15-7-5-4-6-8-15/h12,15-18H,3-11,13-14H2,1-2H3,(H2,22,23,27)/t16-,17+,18-/m0/s1
InChI Key NEQUPXNDLBERSP-KSZLIROESA-N
Canonical SMILES CCNC(=O)NCC1CC2CCN1CC2C3=CC(=NN3C)C4CCCCC4
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-ethyl-;
NAT13-333671

In Other Databases

PubChem 25388994
ChemSpider 21380990