{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl [3-(trifluoromethyl)phenyl]carbamate

enlarge

Systematic / IUPAC Name: [(2R,4S,5R)-5-(2-Methyl-5-thiophen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference9080

Other Names: Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331659

Formula: C24H25F3N4O2S

Spectral Data

{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl [3-(trifluoromethyl)phenyl]carbamate 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 2973
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2019 11:24:33 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H25F3N4O2S/c1-30-21(12-20(29-30)22-6-3-9-34-22)19-13-31-8-7-15(19)10-18(31)14-33-23(32)28-17-5-2-4-16(11-17)24(25,26)27/h2-6,9,11-12,15,18-19H,7-8,10,13-14H2,1H3,(H,28,32)/t15-,18+,19-/m0/s1
InChI Key PTVAWDAWXNVJFC-IPELMVKDSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4COC(=O)NC5=CC=CC(=C5)C(F)(F)F
CAS
Splash
Other Names Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331659

In Other Databases

PubChem 40780078
ChemSpider 21380737