[(3R,4S)-1-(Cyclohexylcarbonyl)-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid
12074
Reference
[(3R,4S)-1-(Cyclohexylcarbonyl)-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(Cyclohexanecarbonyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
ID: Reference12074
Other Names: NAT14-336636
Formula: C26H38FN3O3
Spectral Data
[(3R,4S)-1-(Cyclohexylcarbonyl)-3-{2-[4-(4-fluorophenyl)-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 | 1611 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/20/2022 10:00:38 AM |
Identificators
| InChI | InChI=1S/C26H38FN3O3/c27-23-6-8-24(9-7-23)29-16-14-28(15-17-29)12-10-22-19-30(13-11-21(22)18-25(31)32)26(33)20-4-2-1-3-5-20/h6-9,20-22H,1-5,10-19H2,(H,31,32)/t21-,22-/m0/s1 |
| InChI Key | RHVORMZJTMJWSH-VXKWHMMOSA-N |
| Canonical SMILES | C1CCC(CC1)C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-336636 |