1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
9490
Reference
1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea Structure
Systematic / IUPAC Name: 1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference9490
Other Names: NAT17-347260
Formula: C18H25FN4O4
Spectral Data
1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]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 | 2 |
| No. of Spectra | 2614 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2020 1:05:41 PM |
Identificators
| InChI | InChI=1S/C18H25FN4O4/c1-22-6-8-23(9-7-22)15-16(24)14(13-10-26-17(15)27-13)21-18(25)20-12-4-2-11(19)3-5-12/h2-5,13-17,24H,6-10H2,1H3,(H2,20,21,25)/t13-,14-,15-,16+,17-/m1/s1 |
| InChI Key | IJWSHARVXVDGLL-OVYGPGRDSA-N |
| Canonical SMILES | CN1CCN(CC1)C2C(C(C3COC2O3)NC(=O)NC4=CC=C(C=C4)F)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347260 |