(1S,2S,3S,4R,5R)-2-[(4-Methoxybenzyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6,8-dioxabicyclo[3.2.1]octan-3-ol
10586
Reference
(1S,2S,3S,4R,5R)-2-[(4-Methoxybenzyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-[(4-Methoxyphenyl)methylamino]-4-[methyl(2-pyridin-2-ylethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference10586
Other Names: NAT17-381312
Formula: C22H29N3O4
Spectral Data
(1S,2S,3S,4R,5R)-2-[(4-Methoxybenzyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-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 | 1540 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/24/2021 11:51:16 AM |
Identificators
| InChI | InChI=1S/C22H29N3O4/c1-25(12-10-16-5-3-4-11-23-16)20-21(26)19(18-14-28-22(20)29-18)24-13-15-6-8-17(27-2)9-7-15/h3-9,11,18-22,24,26H,10,12-14H2,1-2H3/t18-,19-,20-,21+,22-/m1/s1 |
| InChI Key | MYNDHAQHSMFTBD-CSEOROSGSA-N |
| Canonical SMILES | CN(CCC1=CC=CC=N1)C2C(C(C3COC2O3)NCC4=CC=C(C=C4)OC)O |
| CAS | |
| Splash | |
| Other Names | NAT17-381312 |