N-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-(trifluoromethyl)benzamide
12995
Reference
N-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-(trifluoromethyl)benzamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(2,3-Dihydroindol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide
ID: Reference12995
Other Names: NAT13-339815
Formula: C25H28F3N3O
Spectral Data
N-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-(trifluoromethyl)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 | 710 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2024 3:22:38 PM |
Identificators
| InChI | InChI=1S/C25H28F3N3O/c26-25(27,28)21-7-5-18(6-8-21)24(32)29-14-22-13-19-10-11-30(22)15-20(19)16-31-12-9-17-3-1-2-4-23(17)31/h1-8,19-20,22H,9-16H2,(H,29,32)/t19-,20+,22+/m0/s1 |
| InChI Key | TYLNWEHQWYXACE-TUNNFDKTSA-N |
| Canonical SMILES | C1CN2CC(C1CC2CNC(=O)C3=CC=C(C=C3)C(F)(F)F)CN4CCC5=CC=CC=C54 |
| CAS | |
| Splash | |
| Other Names | NAT13-339815 |