Dataset

7,7,9-trimethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecane-1,16-diyl bis(2-methylacrylate); LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN123708 contains the MS2 mass spectrum of 7,7,9-trimethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecane-1,16-diyl bis(2-methylacrylate) with the InChIkey UEKHZPDUBLCUHN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)
SMILES CC(C(OCCOC(NCC(C)(C)CC(C)CCNC(OCCOC(C(C)=C)=O)=O)=O)=O)=C
InChI Key UEKHZPDUBLCUHN-UHFFFAOYSA-N
Molecular Formula C23H38N2O8
Exact Mass 470.263 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN123708
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MetadataPublished 2021-08-17
Related Molecule
  • 2-[[3,5,5-trimethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL181998 SureChEMBL
    170472 PubChem
    122367-37-7 ACToR
    41137-60-4 ACToR
    16369757 PubChem: Thomson Pharma
    221391-32-8 ACToR
    CB7306730 ChemicalBook
    AAC5R928KV FDA SRS
    DTXSID70866034 EPA CompTox Dashboard
    J294.841I Nikkaji
    CB9499317 ChemicalBook
    The data in this table is sourced from UniChem at EBI.