N-(1,3-Benzodioxol-5-ylmethyl)-3-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine
11683
Reference
N-(1,3-Benzodioxol-5-ylmethyl)-3-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine Structure
Systematic / IUPAC Name: N-(1,3-Benzodioxol-5-ylmethyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
ID: Reference11683
Other Names: NAT39-500441
Formula: C22H22N2O5
Spectral Data
N-(1,3-Benzodioxol-5-ylmethyl)-3-{[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine 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 | 644 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/22/2022 8:51:38 AM |
Identificators
| InChI | InChI=1S/C22H22N2O5/c1-2-4-18(5-3-1)26-12-19-9-17(24-29-19)10-22(13-25-14-22)23-11-16-6-7-20-21(8-16)28-15-27-20/h1-9,23H,10-15H2 |
| InChI Key | HRGUHMFCZZIYSM-UHFFFAOYSA-N |
| Canonical SMILES | C1C(CO1)(CC2=NOC(=C2)COC3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5 |
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| Splash | |
| Other Names | NAT39-500441 |