(1S,2S,3S,4R,5R)-2-[(2-Methoxybenzyl)amino]-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
11227
Reference
(1S,2S,3S,4R,5R)-2-[(2-Methoxybenzyl)amino]-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-[(2-Methoxyphenyl)methylamino]-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference11227
Other Names: NAT17-347186
Formula: C24H31N3O4
Spectral Data
(1S,2S,3S,4R,5R)-2-[(2-Methoxybenzyl)amino]-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol 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 | 2225 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/18/2022 8:21:25 AM |
Identificators
| InChI | InChI=1S/C24H31N3O4/c1-29-19-10-6-5-7-17(19)15-25-21-20-16-30-24(31-20)22(23(21)28)27-13-11-26(12-14-27)18-8-3-2-4-9-18/h2-10,20-25,28H,11-16H2,1H3/t20-,21-,22-,23+,24-/m1/s1 |
| InChI Key | YFFXZPROGILHJP-ZSXJVMONSA-N |
| Canonical SMILES | COC1=CC=CC=C1CNC2C3COC(O3)C(C2O)N4CCN(CC4)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT17-347186 |