[(3R,4S)-1-(2-Chloroisonicotinoyl)-3-{2-[methyl(phenyl)amino]ethyl}-4-piperidinyl]acetic acid
12619
Reference
[(3R,4S)-1-(2-Chloroisonicotinoyl)-3-{2-[methyl(phenyl)amino]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(2-Chloropyridine-4-carbonyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
ID: Reference12619
Other Names: NAT14-336869
Formula: C22H26ClN3O3
Spectral Data
[(3R,4S)-1-(2-Chloroisonicotinoyl)-3-{2-[methyl(phenyl)amino]ethyl}-4-piperidinyl]acetic acid 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 | 1835 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/30/2023 7:34:16 AM |
Identificators
| InChI | InChI=1S/C22H26ClN3O3/c1-25(19-5-3-2-4-6-19)11-8-18-15-26(12-9-16(18)14-21(27)28)22(29)17-7-10-24-20(23)13-17/h2-7,10,13,16,18H,8-9,11-12,14-15H2,1H3,(H,27,28)/t16-,18-/m0/s1 |
| InChI Key | WBDYABXRBVMASG-WMZOPIPTSA-N |
| Canonical SMILES | CN(CCC1CN(CCC1CC(=O)O)C(=O)C2=CC(=NC=C2)Cl)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT14-336869 |