1-{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}-N-(4-methoxybenzyl)methanamine
11835
Reference
1-{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}-N-(4-methoxybenzyl)methanamine Structure
Systematic / IUPAC Name: 1-[(2R,4S,5R)-5-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
ID: Reference11835
Other Names: NAT13-338619
Formula: C28H36N4O3
Spectral Data
1-{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}-N-(4-methoxybenzyl)methanamine 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 | 879 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/10/2022 1:50:29 PM |
Identificators
| InChI | InChI=1S/C28H36N4O3/c1-31-26(15-25(30-31)21-7-10-27(34-3)28(14-21)35-4)24-18-32-12-11-20(24)13-22(32)17-29-16-19-5-8-23(33-2)9-6-19/h5-10,14-15,20,22,24,29H,11-13,16-18H2,1-4H3/t20-,22+,24-/m0/s1 |
| InChI Key | IUOBHQLYSMIBHK-FJIJXJHWSA-N |
| Canonical SMILES | CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C3CN4CCC3CC4CNCC5=CC=C(C=C5)OC |
| CAS | |
| Splash | |
| Other Names | NAT13-338619 |