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

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

ID: Reference9042

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339727

Formula: C27H33FN6O

Spectral Data

1-(3-Cyanophenyl)-3-{[(2R,4S,5S)-5-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1919
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:43:20 AM
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Identificators

InChI InChI=1S/C27H33FN6O/c28-23-4-6-25(7-5-23)33-12-10-32(11-13-33)18-22-19-34-9-8-21(22)15-26(34)17-30-27(35)31-24-3-1-2-20(14-24)16-29/h1-7,14,21-22,26H,8-13,15,17-19H2,(H2,30,31,35)/t21-,22-,26+/m0/s1
InChI Key FZYHOUIUYMBYBF-AOJNWGRGSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)NC3=CC=CC(=C3)C#N)CN4CCN(CC4)C5=CC=C(C=C5)F
CAS
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Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5S)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339727

In Other Databases

PubChem 40780217
ChemSpider 21381622