{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl propylcarbamate

enlarge

Systematic / IUPAC Name: [(2R,4S,5R)-5-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propylcarbamate

ID: Reference9040

Other Names: Carbamic acid, N-propyl-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339044

Formula: C24H34N4O4

Spectral Data

{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl propylcarbamate 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 2
No. of Spectra 798
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:39:09 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H34N4O4/c1-5-9-25-24(29)32-15-18-11-16-8-10-28(18)14-19(16)21-13-20(26-27(21)2)17-6-7-22(30-3)23(12-17)31-4/h6-7,12-13,16,18-19H,5,8-11,14-15H2,1-4H3,(H,25,29)/t16-,18+,19-/m0/s1
InChI Key KSCFRFIHGADNTE-UHOSZYNNSA-N
Canonical SMILES CCCNC(=O)OCC1CC2CCN1CC2C3=CC(=NN3C)C4=CC(=C(C=C4)OC)OC
CAS
Splash
Other Names Carbamic acid, N-propyl-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339044

In Other Databases

ChemSpider 21381238
PubChem 25389536