[(3R,4S)-1-(Cyclohexylcarbonyl)-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid
10968
Reference
[(3R,4S)-1-(Cyclohexylcarbonyl)-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(Cyclohexanecarbonyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
ID: Reference10968
Other Names: NAT14-336748
Formula: C25H38N4O3
Spectral Data
[(3R,4S)-1-(Cyclohexylcarbonyl)-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 | 1517 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/22/2021 11:17:43 AM |
Identificators
| InChI | InChI=1S/C25H38N4O3/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/h4-5,8,11,20-22H,1-3,6-7,9-10,12-19H2,(H,30,31)/t21-,22-/m0/s1 |
| InChI Key | NRLAYPDCLSQKDW-VXKWHMMOSA-N |
| Canonical SMILES | C1CCC(CC1)C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=CC=N4)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-336748 |