{(3R,4S)-1-(4-Methoxybenzoyl)-3-[2-(1-piperidinyl)ethyl]-4-piperidinyl}acetic acid
10958
Reference
{(3R,4S)-1-(4-Methoxybenzoyl)-3-[2-(1-piperidinyl)ethyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(4-Methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid
ID: Reference10958
Other Names: NAT14-335687
Formula: C22H32N2O4
Spectral Data
{(3R,4S)-1-(4-Methoxybenzoyl)-3-[2-(1-piperidinyl)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 | 866 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/21/2021 10:43:27 AM |
Identificators
| InChI | InChI=1S/C22H32N2O4/c1-28-20-7-5-17(6-8-20)22(27)24-14-10-18(15-21(25)26)19(16-24)9-13-23-11-3-2-4-12-23/h5-8,18-19H,2-4,9-16H2,1H3,(H,25,26)/t18-,19-/m0/s1 |
| InChI Key | QKSVKXJRKNFMPN-OALUTQOASA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)N2CCC(C(C2)CCN3CCCCC3)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-335687 |