{(3R,4S)-1-(2-Chloroisonicotinoyl)-3-[2-(diethylamino)ethyl]-4-piperidinyl}acetic acid
11893
Reference
{(3R,4S)-1-(2-Chloroisonicotinoyl)-3-[2-(diethylamino)ethyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(2-Chloropyridine-4-carbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
ID: Reference11893
Other Names: NAT14-335133
Formula: C19H28ClN3O3
Spectral Data
{(3R,4S)-1-(2-Chloroisonicotinoyl)-3-[2-(diethylamino)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 | 1474 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/31/2022 12:19:18 PM |
Identificators
| InChI | InChI=1S/C19H28ClN3O3/c1-3-22(4-2)9-6-16-13-23(10-7-14(16)12-18(24)25)19(26)15-5-8-21-17(20)11-15/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H,24,25)/t14-,16-/m0/s1 |
| InChI Key | DKRXLHKZVGTABP-HOCLYGCPSA-N |
| Canonical SMILES | CCN(CC)CCC1CN(CCC1CC(=O)O)C(=O)C2=CC(=NC=C2)Cl |
| CAS | |
| Splash | |
| Other Names | NAT14-335133 |