1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-fluorophenyl)urea
12634
Reference
1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-fluorophenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-(4-Benzylpiperidin-1-yl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-(4-fluorophenyl)urea
ID: Reference12634
Other Names: NAT17-347034
Formula: C25H30FN3O4
Spectral Data
1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-fluorophenyl)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 | 2109 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/7/2023 8:07:09 AM |
Identificators
| InChI | InChI=1S/C25H30FN3O4/c26-18-6-8-19(9-7-18)27-25(31)28-21-20-15-32-24(33-20)22(23(21)30)29-12-10-17(11-13-29)14-16-4-2-1-3-5-16/h1-9,17,20-24,30H,10-15H2,(H2,27,28,31)/t20-,21-,22-,23+,24-/m1/s1 |
| InChI Key | HRPBZSPAQRSLJQ-ZSXJVMONSA-N |
| Canonical SMILES | C1CN(CCC1CC2=CC=CC=C2)C3C(C(C4COC3O4)NC(=O)NC5=CC=C(C=C5)F)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347034 |