N-{[(2R,4S,5S)-5-{[4-(2-Pyrimidinyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide

enlarge

Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

ID: Reference9082

Other Names: Benzamide, N-[[(2R,4S,5S)-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339764

Formula: C24H32N6O

Spectral Data

N-{[(2R,4S,5S)-5-{[4-(2-Pyrimidinyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 2474
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2019 11:28:41 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H32N6O/c31-23(19-5-2-1-3-6-19)27-16-22-15-20-7-10-30(22)18-21(20)17-28-11-13-29(14-12-28)24-25-8-4-9-26-24/h1-6,8-9,20-22H,7,10-18H2,(H,27,31)/t20-,21-,22+/m0/s1
InChI Key WAYJTNXOLXSDBW-FDFHNCONSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC=N5
CAS
Splash
Other Names Benzamide, N-[[(2R,4S,5S)-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339764

In Other Databases

ChemSpider 21381656
PubChem 40779807