[(3R,4S)-1-[4-(Dimethylamino)benzoyl]-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid
12340
Reference
[(3R,4S)-1-[4-(Dimethylamino)benzoyl]-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-[4-(Dimethylamino)benzoyl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
ID: Reference12340
Other Names: NAT14-336640
Formula: C28H37FN4O3
Spectral Data
[(3R,4S)-1-[4-(Dimethylamino)benzoyl]-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 | 310 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/7/2023 11:35:04 AM |
Identificators
| InChI | InChI=1S/C28H37FN4O3/c1-30(2)25-7-3-21(4-8-25)28(36)33-14-12-22(19-27(34)35)23(20-33)11-13-31-15-17-32(18-16-31)26-9-5-24(29)6-10-26/h3-10,22-23H,11-20H2,1-2H3,(H,34,35)/t22-,23-/m0/s1 |
| InChI Key | OOITXJPUGQDJSK-GOTSBHOMSA-N |
| Canonical SMILES | CN(C)C1=CC=C(C=C1)C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-336640 |