1-Allyl-3-[(1S,2S,3S,4R,5R)-4-(4-benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
12636
Reference
1-Allyl-3-[(1S,2S,3S,4R,5R)-4-(4-benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]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-prop-2-enylurea
ID: Reference12636
Other Names: NAT17-347036
Formula: C22H31N3O4
Spectral Data
1-Allyl-3-[(1S,2S,3S,4R,5R)-4-(4-benzyl-1-piperidinyl)-3-hydroxy-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 | 1244 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/7/2023 8:09:52 AM |
Identificators
| InChI | InChI=1S/C22H31N3O4/c1-2-10-23-22(27)24-18-17-14-28-21(29-17)19(20(18)26)25-11-8-16(9-12-25)13-15-6-4-3-5-7-15/h2-7,16-21,26H,1,8-14H2,(H2,23,24,27)/t17-,18-,19-,20+,21-/m1/s1 |
| InChI Key | QEPSUPKAWZVVHR-SSSFQFABSA-N |
| Canonical SMILES | C=CCNC(=O)NC1C2COC(O2)C(C1O)N3CCC(CC3)CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT17-347036 |