{(3R,4S)-1-(Phenoxyacetyl)-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinyl}acetic acid
12477
Reference
{(3R,4S)-1-(Phenoxyacetyl)-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(2-Phenoxyacetyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
ID: Reference12477
Other Names: NAT14-336294
Formula: C27H35N3O4
Spectral Data
{(3R,4S)-1-(Phenoxyacetyl)-3-[2-(4-phenyl-1-piperazinyl)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 | 2126 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/4/2023 8:37:25 AM |
Identificators
| InChI | InChI=1S/C27H35N3O4/c31-26(21-34-25-9-5-2-6-10-25)30-14-12-22(19-27(32)33)23(20-30)11-13-28-15-17-29(18-16-28)24-7-3-1-4-8-24/h1-10,22-23H,11-21H2,(H,32,33)/t22-,23-/m0/s1 |
| InChI Key | ALSSZSGHHRAPBF-GOTSBHOMSA-N |
| Canonical SMILES | C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT14-336294 |