N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide
9101
Reference
N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide 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]-1,3-benzodioxole-5-carboxamide
ID: Reference9101
Other Names: NAT19-347662
Formula: C25H28FN3O7
Spectral Data
N-{[(2R,3S,4R,5S)-5-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide 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 | 1674 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/2/2024 12:59:41 PM |
Identificators
| InChI | InChI=1S/C25H28FN3O7/c26-16-2-4-17(5-3-16)28-7-9-29(10-8-28)22(30)12-20-23(31)24(32)21(36-20)13-27-25(33)15-1-6-18-19(11-15)35-14-34-18/h1-6,11,20-21,23-24,31-32H,7-10,12-14H2,(H,27,33)/t20-,21+,23-,24+/m0/s1 |
| InChI Key | OAXFACVTFNOCON-SGKWCMOWSA-N |
| Canonical SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3C(C(C(O3)CNC(=O)C4=CC5=C(C=C4)OCO5)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-347662 |