5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-N-(2-methoxyethyl)-2-pyridinamine
10603
Reference
5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-N-(2-methoxyethyl)-2-pyridinamine Structure
Systematic / IUPAC Name: 5-[5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
ID: Reference10603
Other Names: NAT18-432253
Formula: C22H25N5O4
Spectral Data
5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-N-(2-methoxyethyl)-2-pyridinamine 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 | 1343 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2021 11:36:30 AM |
Identificators
| InChI | InChI=1S/C22H25N5O4/c1-28-10-8-23-20-7-5-16(12-24-20)21-25-22(31-26-21)17-3-2-9-27(17)13-15-4-6-18-19(11-15)30-14-29-18/h4-7,11-12,17H,2-3,8-10,13-14H2,1H3,(H,23,24)/t17-/m0/s1 |
| InChI Key | YFSHOSVEUTUUQA-KRWDZBQOSA-N |
| Canonical SMILES | COCCNC1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC5=C(C=C4)OCO5 |
| CAS | |
| Splash | |
| Other Names | NAT18-432253 |