1-(4-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-4-piperidinecarboxamide
12529
Reference
1-(4-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-4-piperidinecarboxamide Structure
Systematic / IUPAC Name: 1-[4-[5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperidine-4-carboxamide
ID: Reference12529
Other Names: NAT18-428947
Formula: C25H28N6O4
Spectral Data
1-(4-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-4-piperidinecarboxamide 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 | 2029 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/15/2023 10:38:18 AM |
Identificators
| InChI | InChI=1S/C25H28N6O4/c26-23(32)17-6-10-30(11-7-17)22-13-18(5-8-27-22)24-28-25(35-29-24)19-2-1-9-31(19)14-16-3-4-20-21(12-16)34-15-33-20/h3-5,8,12-13,17,19H,1-2,6-7,9-11,14-15H2,(H2,26,32)/t19-/m0/s1 |
| InChI Key | SWJSVQUPGFDRJY-IBGZPJMESA-N |
| Canonical SMILES | C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NO4)C5=CC(=NC=C5)N6CCC(CC6)C(=O)N |
| CAS | |
| Splash | |
| Other Names | NAT18-428947 |