N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide
12141
Reference
N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
ID: Reference12141
Other Names: NAT13-339464
Formula: C25H31N3O
Spectral Data
N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1579 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 5:12:14 PM |
Identificators
| InChI | InChI=1S/C25H31N3O/c29-25(20-7-2-1-3-8-20)26-15-24-14-21-11-13-28(24)18-23(21)17-27-12-10-19-6-4-5-9-22(19)16-27/h1-9,21,23-24H,10-18H2,(H,26,29)/t21-,23-,24+/m0/s1 |
| InChI Key | SGNQDVJRDGBDAL-OEMFJLHTSA-N |
| Canonical SMILES | C1CN2CC(C1CC2CNC(=O)C3=CC=CC=C3)CN4CCC5=CC=CC=C5C4 |
| CAS | |
| Splash | |
| Other Names | NAT13-339464 |