4-{5-[(3R,4S,6R)-6-(Aminomethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-methyl-1H-pyrazol-3-yl}-N,N-dimethylaniline

enlarge

Systematic / IUPAC Name: 4-[5-[(3R,4S,6R)-6-(Aminomethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-methylpyrazol-3-yl]-N,N-dimethylaniline

ID: Reference9064

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[3-[4-(dimethylamino)phenyl]-1-methyl-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-332421

Formula: C20H29N5

Spectral Data

4-{5-[(3R,4S,6R)-6-(Aminomethyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1870
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2019 1:57:22 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H29N5/c1-23(2)16-6-4-14(5-7-16)19-11-20(24(3)22-19)18-13-25-9-8-15(18)10-17(25)12-21/h4-7,11,15,17-18H,8-10,12-13,21H2,1-3H3/t15-,17+,18-/m0/s1
InChI Key NRVVWNQUUVPHGA-JQHSSLGASA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=C(C=C2)N(C)C)C3CN4CCC3CC4CN
CAS
Splash
Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[3-[4-(dimethylamino)phenyl]-1-methyl-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-332421

In Other Databases

PubChem 44716321
ChemSpider 21380805