{(3R,4S)-3-[2-(4-Acetyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-4-piperidinyl}acetic acid
12796
Reference
{(3R,4S)-3-[2-(4-Acetyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[2-(4-Acetylpiperazin-1-yl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetic acid
ID: Reference12796
Other Names: NAT14-336417
Formula: C23H30F3N3O4
Spectral Data
{(3R,4S)-3-[2-(4-Acetyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-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 | 2 |
| No. of Spectra | 5489 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/5/2023 9:44:16 AM |
Identificators
| InChI | InChI=1S/C23H30F3N3O4/c1-16(30)28-12-10-27(11-13-28)8-6-19-15-29(9-7-18(19)14-21(31)32)22(33)17-2-4-20(5-3-17)23(24,25)26/h2-5,18-19H,6-15H2,1H3,(H,31,32)/t18-,19-/m0/s1 |
| InChI Key | NNSSEQIWPVCPII-OALUTQOASA-N |
| Canonical SMILES | CC(=O)N1CCN(CC1)CCC2CN(CCC2CC(=O)O)C(=O)C3=CC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT14-336417 |