(1S,2S,3S,4R,5R)-2-[(2-Furylmethyl)amino]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]octan-3-ol

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Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-(Furan-2-ylmethylamino)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol

ID: Reference13015

Other Names: NAT17-347128

Formula: C22H29N3O5

Spectral Data

(1S,2S,3S,4R,5R)-2-[(2-Furylmethyl)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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1355
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/15/2024 12:47:28 PM
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Identificators

InChI InChI=1S/C22H29N3O5/c1-27-17-7-3-2-6-16(17)24-8-10-25(11-9-24)20-21(26)19(18-14-29-22(20)30-18)23-13-15-5-4-12-28-15/h2-7,12,18-23,26H,8-11,13-14H2,1H3/t18-,19-,20-,21+,22-/m1/s1
InChI Key NEPBAFYUKVFBLU-CSEOROSGSA-N
Canonical SMILES COC1=CC=CC=C1N2CCN(CC2)C3C(C(C4COC3O4)NCC5=CC=CO5)O
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Other Names NAT17-347128

In Other Databases

ChemSpider 22806543
PubChem 28960454
ChEMBL CHEMBL4995178