Systematic / IUPAC Name: 2-[(3R,4S)-1-(Morpholine-4-carbonyl)-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
ID: Reference9512
Other Names:
4-Piperidineacetic acid, 1-(4-morpholinylcarbonyl)-3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336581
Formula: C25H35F3N4O4
[(3R,4S)-1-(4-Morpholinylcarbonyl)-3-(2-{4-[3-(trifluoromethyl)phenyl]-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1850 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/21/2020 3:51:05 PM |
InChI | InChI=1S/C25H35F3N4O4/c26-25(27,28)21-2-1-3-22(17-21)30-10-8-29(9-11-30)6-4-20-18-32(7-5-19(20)16-23(33)34)24(35)31-12-14-36-15-13-31/h1-3,17,19-20H,4-16,18H2,(H,33,34)/t19-,20-/m0/s1 |
InChI Key | ZIFBYFIZEXSAPO-PMACEKPBSA-N |
Canonical SMILES | C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCOCC4 |
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Other Names |
4-Piperidineacetic acid, 1-(4-morpholinylcarbonyl)-3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, (3R,4S)-; NAT14-336581 |