(1S,2S,3S,4R,5R)-2-[Bis(cyclopropylmethyl)amino]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
11226
Reference
(1S,2S,3S,4R,5R)-2-[Bis(cyclopropylmethyl)amino]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-[Bis(cyclopropylmethyl)amino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference11226
Other Names: NAT17-262530
Formula: C25H37N3O4
Spectral Data
(1S,2S,3S,4R,5R)-2-[Bis(cyclopropylmethyl)amino]-4-[4-(2-methoxyphenyl)-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 | 2850 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/18/2022 8:19:25 AM |
Identificators
| InChI | InChI=1S/C25H37N3O4/c1-30-20-5-3-2-4-19(20)26-10-12-27(13-11-26)23-24(29)22(21-16-31-25(23)32-21)28(14-17-6-7-17)15-18-8-9-18/h2-5,17-18,21-25,29H,6-16H2,1H3/t21-,22-,23-,24+,25-/m1/s1 |
| InChI Key | KNJFWLYOKRBHSX-UUFXTFJOSA-N |
| Canonical SMILES | COC1=CC=CC=C1N2CCN(CC2)C3C(C(C4COC3O4)N(CC5CC5)CC6CC6)O |
| CAS | |
| Splash | |
| Other Names | NAT17-262530 |