1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-cyclohexylurea
9518
Reference
1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-cyclohexylurea 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-cyclohexylurea
ID: Reference9518
Other Names: NAT17-347033
Formula: C25H37N3O4
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-cyclohexylurea 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 | 3308 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/21/2020 4:02:50 PM |
Identificators
| InChI | InChI=1S/C25H37N3O4/c29-23-21(27-25(30)26-19-9-5-2-6-10-19)20-16-31-24(32-20)22(23)28-13-11-18(12-14-28)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-24,29H,2,5-6,9-16H2,(H2,26,27,30)/t20-,21-,22-,23+,24-/m1/s1 |
| InChI Key | OWYGNVVCWLGGFK-ZSXJVMONSA-N |
| Canonical SMILES | C1CCC(CC1)NC(=O)NC2C3COC(O3)C(C2O)N4CCC(CC4)CC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT17-347033 |