1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(1-pyrrolidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
12994
Reference
1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(1-pyrrolidinyl)-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-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference12994
Other Names: NAT17-347322
Formula: C17H22FN3O4
Spectral Data
1-(4-Fluorophenyl)-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(1-pyrrolidinyl)-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 | 1 |
| No. of Spectra | 700 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2024 3:22:11 PM |
Identificators
| InChI | InChI=1S/C17H22FN3O4/c18-10-3-5-11(6-4-10)19-17(23)20-13-12-9-24-16(25-12)14(15(13)22)21-7-1-2-8-21/h3-6,12-16,22H,1-2,7-9H2,(H2,19,20,23)/t12-,13-,14-,15+,16-/m1/s1 |
| InChI Key | ZKECHZQWNWBCTL-DGXTUMSLSA-N |
| Canonical SMILES | C1CCN(C1)C2C(C(C3COC2O3)NC(=O)NC4=CC=C(C=C4)F)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347322 |