[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid
12996
Reference
[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
ID: Reference12996
Other Names: NAT14-336628
Formula: C25H38FN3O3
Spectral Data
[(3R,4S)-1-(3,3-Dimethylbutanoyl)-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 | 365 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2024 3:23:04 PM |
Identificators
| InChI | InChI=1S/C25H38FN3O3/c1-25(2,3)17-23(30)29-11-9-19(16-24(31)32)20(18-29)8-10-27-12-14-28(15-13-27)22-6-4-21(26)5-7-22/h4-7,19-20H,8-18H2,1-3H3,(H,31,32)/t19-,20-/m0/s1 |
| InChI Key | DVSQAEHTHOOEBX-PMACEKPBSA-N |
| Canonical SMILES | CC(C)(C)CC(=O)N1CCC(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-336628 |