3-{[(2S)-2-{3-[6-(Dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzonitrile
10596
Reference
3-{[(2S)-2-{3-[6-(Dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzonitrile Structure
Systematic / IUPAC Name: 3-[[(2S)-2-[3-[6-(Dimethylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzonitrile
ID: Reference10596
Other Names: NAT18-473549
Formula: C21H22N6O
Spectral Data
3-{[(2S)-2-{3-[6-(Dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzonitrile 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 | 679 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/2/2021 6:24:43 AM |
Identificators
| InChI | InChI=1S/C21H22N6O/c1-26(2)19-9-8-17(13-23-19)20-24-21(28-25-20)18-7-4-10-27(18)14-16-6-3-5-15(11-16)12-22/h3,5-6,8-9,11,13,18H,4,7,10,14H2,1-2H3/t18-/m0/s1 |
| InChI Key | OJZOJGKVUZSXJZ-SFHVURJKSA-N |
| Canonical SMILES | CN(C)C1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC(=CC=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT18-473549 |