1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-phenylurea
9478
Reference
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-phenylurea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-phenylurea
ID: Reference9478
Other Names: NAT17-347288
Formula: C18H25N3O4
Spectral Data
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-phenylurea 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 | 2952 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/12/2020 8:49:46 AM |
Identificators
| InChI | InChI=1S/C18H25N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h1,3-4,7-8,13-17,22H,2,5-6,9-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1 |
| InChI Key | FLHFCMDMRMNUGT-OVYGPGRDSA-N |
| Canonical SMILES | C1CCN(CC1)C2C(C(C3COC2O3)NC(=O)NC4=CC=CC=C4)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347288 |