1-{(1S,2S,3S,4R,5R)-3-Hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]oct-2-yl}-3-(3-methoxyphenyl)urea

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

ID: Reference12111

Other Names: NAT17-347139

Formula: C25H32N4O6

Spectral Data

1-{(1S,2S,3S,4R,5R)-3-Hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]oct-2-yl}-3-(3-methoxyphenyl)urea 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 1277
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/12/2023 9:05:30 AM
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Identificators

InChI InChI=1S/C25H32N4O6/c1-32-17-7-5-6-16(14-17)26-25(31)27-21-20-15-34-24(35-20)22(23(21)30)29-12-10-28(11-13-29)18-8-3-4-9-19(18)33-2/h3-9,14,20-24,30H,10-13,15H2,1-2H3,(H2,26,27,31)/t20-,21-,22-,23+,24-/m1/s1
InChI Key AIDFMGLVOIXBLQ-ZSXJVMONSA-N
Canonical SMILES COC1=CC=CC(=C1)NC(=O)NC2C3COC(O3)C(C2O)N4CCN(CC4)C5=CC=CC=C5OC
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Other Names NAT17-347139

In Other Databases

PubChem 28960456
ChemSpider 22806545