N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-4-methylbenzamide
9162
Reference
N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-4-methylbenzamide Structure
Systematic / IUPAC Name: N-[[(2R,3S,4R,5S)-5-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methylbenzamide
ID: Reference9162
Other Names: NAT19-353823
Formula: C25H30FN3O5
Spectral Data
N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-4-methylbenzamide 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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1343 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/22/2019 7:03:38 AM |
Identificators
| InChI | InChI=1S/C25H30FN3O5/c1-16-2-4-17(5-3-16)25(33)27-15-21-24(32)23(31)20(34-21)14-22(30)29-12-10-28(11-13-29)19-8-6-18(26)7-9-19/h2-9,20-21,23-24,31-32H,10-15H2,1H3,(H,27,33)/t20-,21+,23-,24+/m0/s1 |
| InChI Key | OPKUPUSAXJXIAV-SGKWCMOWSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)C(=O)NCC2C(C(C(O2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-353823 |