2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone
9100
Reference
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone Structure
Systematic / IUPAC Name: 2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-[[4-(phenylsulfanylmethyl)triazol-1-yl]methyl]oxolan-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
ID: Reference9100
Other Names: NAT19-347716
Formula: C26H30FN5O4S
Spectral Data
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone 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 | 1855 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/2/2024 12:53:49 PM |
Identificators
| InChI | InChI=1S/C26H30FN5O4S/c27-18-6-8-20(9-7-18)30-10-12-31(13-11-30)24(33)14-22-25(34)26(35)23(36-22)16-32-15-19(28-29-32)17-37-21-4-2-1-3-5-21/h1-9,15,22-23,25-26,34-35H,10-14,16-17H2/t22-,23+,25-,26+/m0/s1 |
| InChI Key | VQFYNVPEVUGIRJ-ALNDXVPUSA-N |
| Canonical SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3C(C(C(O3)CN4C=C(N=N4)CSC5=CC=CC=C5)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-347716 |