2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

enlarge

Systematic / IUPAC Name: 2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

ID: Reference9540

Other Names: 1,3,4-Oxadiazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-(2-methoxyphenyl)-;
NAT31-459595

Formula: C21H21N3O4

Spectral Data

2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole 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
No. of Spectral Trees 1
No. of Spectra 300
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2020 7:19:28 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H21N3O4/c1-25-17-5-3-2-4-16(17)21-23-22-20(28-21)15-8-9-24(12-15)11-14-6-7-18-19(10-14)27-13-26-18/h2-7,10,15H,8-9,11-13H2,1H3/t15-/m0/s1
InChI Key TZXTUQTVLFGQLI-HNNXBMFYSA-N
Canonical SMILES COC1=CC=CC=C1C2=NN=C(O2)C3CCN(C3)CC4=CC5=C(C=C4)OCO5
CAS
Splash
Other Names 1,3,4-Oxadiazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-(2-methoxyphenyl)-;
NAT31-459595

In Other Databases

ChemSpider 29850467
PubChem 51137466