1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
9484
Reference
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
ID: Reference9484
Other Names: NAT17-347196
Formula: C24H27F3N4O4
Spectral Data
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(4-phenyl-1-piperazinyl)-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 | 2204 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2020 12:53:29 PM |
Identificators
| InChI | InChI=1S/C24H27F3N4O4/c25-24(26,27)15-5-4-6-16(13-15)28-23(33)29-19-18-14-34-22(35-18)20(21(19)32)31-11-9-30(10-12-31)17-7-2-1-3-8-17/h1-8,13,18-22,32H,9-12,14H2,(H2,28,29,33)/t18-,19-,20-,21+,22-/m1/s1 |
| InChI Key | DFRFPOHCFVWDOW-CSEOROSGSA-N |
| Canonical SMILES | C1CN(CCN1C2C(C(C3COC2O3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT17-347196 |