[(3R,4S)-3-{2-[4-(4-Fluorophenyl)-1-piperazinyl]ethyl}-1-(phenoxyacetyl)-4-piperidinyl]acetic acid
11889
Reference
[(3R,4S)-3-{2-[4-(4-Fluorophenyl)-1-piperazinyl]ethyl}-1-(phenoxyacetyl)-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
ID: Reference11889
Other Names: NAT14-336630
Formula: C27H34FN3O4
Spectral Data
[(3R,4S)-3-{2-[4-(4-Fluorophenyl)-1-piperazinyl]ethyl}-1-(phenoxyacetyl)-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 | 2483 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/31/2022 11:49:04 AM |
Identificators
| InChI | InChI=1S/C27H34FN3O4/c28-23-6-8-24(9-7-23)30-16-14-29(15-17-30)12-10-22-19-31(13-11-21(22)18-27(33)34)26(32)20-35-25-4-2-1-3-5-25/h1-9,21-22H,10-20H2,(H,33,34)/t21-,22-/m0/s1 |
| InChI Key | NATMVGDXRKTYMQ-VXKWHMMOSA-N |
| Canonical SMILES | C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)COC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT14-336630 |