N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide
12616
Reference
N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide
ID: Reference12616
Other Names: NAT13-338564
Formula: C28H31F3N4O3
Spectral Data
N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2545 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2023 8:46:21 AM |
Identificators
| InChI | InChI=1S/C28H31F3N4O3/c1-34-24(14-23(33-34)19-6-9-25(37-2)26(13-19)38-3)22-16-35-11-10-18(22)12-21(35)15-32-27(36)17-4-7-20(8-5-17)28(29,30)31/h4-9,13-14,18,21-22H,10-12,15-16H2,1-3H3,(H,32,36)/t18-,21+,22-/m0/s1 |
| InChI Key | FGDHIQMQGFYNDK-BWAGFHJFSA-N |
| Canonical SMILES | CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C3CN4CCC3CC4CNC(=O)C5=CC=C(C=C5)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT13-338564 |