1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
9467
Reference
1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-(4-Acetylpiperazin-1-yl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
ID: Reference9467
Other Names: NAT17-346939
Formula: C20H25F3N4O5
Spectral Data
1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea 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 | 2299 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/11/2020 9:51:47 AM |
Identificators
| InChI | InChI=1S/C20H25F3N4O5/c1-11(28)26-5-7-27(8-6-26)16-17(29)15(14-10-31-18(16)32-14)25-19(30)24-13-4-2-3-12(9-13)20(21,22)23/h2-4,9,14-18,29H,5-8,10H2,1H3,(H2,24,25,30)/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | AHMUDDPCJWOHEI-HSFUPAIVSA-N |
| Canonical SMILES | CC(=O)N1CCN(CC1)C2C(C(C3COC2O3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)O |
| CAS | |
| Splash | |
| Other Names | NAT17-346939 |