4-{5-[(3R,4S,6R)-6-{[(2-Furylmethyl)amino]methyl}-1-azabicyclo[2.2.2]oct-3-yl]-1-methyl-1H-pyrazol-3-yl}-N,N-dimethylaniline
11041
Reference
4-{5-[(3R,4S,6R)-6-{[(2-Furylmethyl)amino]methyl}-1-azabicyclo[2.2.2]oct-3-yl]-1-methyl-1H-pyrazol-3-yl}-N,N-dimethylaniline Structure
Systematic / IUPAC Name: 4-[5-[(3R,4S,6R)-6-[(Furan-2-ylmethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-yl]-1-methylpyrazol-3-yl]-N,N-dimethylaniline
ID: Reference11041
Other Names: NAT13-332497
Formula: C25H33N5O
Spectral Data
4-{5-[(3R,4S,6R)-6-{[(2-Furylmethyl)amino]methyl}-1-azabicyclo[2.2.2]oct-3-yl]-1-methyl-1H-pyrazol-3-yl}-N,N-dimethylaniline 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 | 2334 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 11:45:55 AM |
Identificators
| InChI | InChI=1S/C25H33N5O/c1-28(2)20-8-6-18(7-9-20)24-14-25(29(3)27-24)23-17-30-11-10-19(23)13-21(30)15-26-16-22-5-4-12-31-22/h4-9,12,14,19,21,23,26H,10-11,13,15-17H2,1-3H3/t19-,21+,23-/m0/s1 |
| InChI Key | PDDVHUXFXUSXHA-WPYKKVEZSA-N |
| Canonical SMILES | CN1C(=CC(=N1)C2=CC=C(C=C2)N(C)C)C3CN4CCC3CC4CNCC5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT13-332497 |