1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)urea
10544
Reference
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)urea 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-(4-methoxyphenyl)urea
ID: Reference10544
Other Names: NAT17-347287
Formula: C19H27N3O5
Spectral Data
1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)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 | 2565 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/11/2021 10:23:03 AM |
Identificators
| InChI | InChI=1S/C19H27N3O5/c1-25-13-7-5-12(6-8-13)20-19(24)21-15-14-11-26-18(27-14)16(17(15)23)22-9-3-2-4-10-22/h5-8,14-18,23H,2-4,9-11H2,1H3,(H2,20,21,24)/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | PRJRHGGPCZUZLV-HSFUPAIVSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)NC(=O)NC2C3COC(O3)C(C2O)N4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT17-347287 |