N-(5-{5-[(2S)-1-(4-Cyanobenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-4-pyrimidinyl)-2-methoxyacetamide
10870
Reference
N-(5-{5-[(2S)-1-(4-Cyanobenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-4-pyrimidinyl)-2-methoxyacetamide Structure
Systematic / IUPAC Name: N-[5-[5-[(2S)-1-[(4-Cyanophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]-2-methoxyacetamide
ID: Reference10870
Other Names: NAT18-437250
Formula: C21H21N7O3
Spectral Data
N-(5-{5-[(2S)-1-(4-Cyanobenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-4-pyrimidinyl)-2-methoxyacetamide 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 | 729 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/20/2021 7:43:43 AM |
Identificators
| InChI | InChI=1S/C21H21N7O3/c1-30-12-18(29)25-19-16(10-23-13-24-19)20-26-21(31-27-20)17-3-2-8-28(17)11-15-6-4-14(9-22)5-7-15/h4-7,10,13,17H,2-3,8,11-12H2,1H3,(H,23,24,25,29)/t17-/m0/s1 |
| InChI Key | AYSRPYWCACLVMB-KRWDZBQOSA-N |
| Canonical SMILES | COCC(=O)NC1=NC=NC=C1C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT18-437250 |