[(3R,4S)-1-Benzoyl-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid
10969
Reference
[(3R,4S)-1-Benzoyl-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-Benzoyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
ID: Reference10969
Other Names: NAT14-336750
Formula: C25H32N4O3
Spectral Data
[(3R,4S)-1-Benzoyl-3-{2-[4-(2-pyridinyl)-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 | 1390 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/22/2021 11:19:58 AM |
Identificators
| InChI | InChI=1S/C25H32N4O3/c30-24(31)18-21-10-13-29(25(32)20-6-2-1-3-7-20)19-22(21)9-12-27-14-16-28(17-15-27)23-8-4-5-11-26-23/h1-8,11,21-22H,9-10,12-19H2,(H,30,31)/t21-,22-/m0/s1 |
| InChI Key | SPSFXWAIKQCUNY-VXKWHMMOSA-N |
| Canonical SMILES | C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=N3)C(=O)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT14-336750 |