Dataset

SB236057A; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000021 contains the MS2 mass spectrum of SB236057A with the InChIkey WXAKEEQOWUHGCI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
SMILES CCN1CCC2(COC3C=C4CCN(C(=O)C5C=CC(=CC=5)C5=CC=C(C=C5C)C5=NN=C(C)O5)C4=CC2=3)CC1
InChI Key WXAKEEQOWUHGCI-UHFFFAOYSA-N
Molecular Formula C33H34N4O3
Exact Mass 534.263 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000021
Version
Author
Maintainer
Language
MetadataPublished 2023-05-02
Related Molecule
  • (1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3231 Guide to Pharmacology
    CHEMBL1628625 ChEMBL
    J1.130.601B Nikkaji
    ZINC000001485779 ZINC
    DTXSID0047321 EPA CompTox Dashboard
    PD047402 ProbesDrugs
    180083-49-2 ACToR
    SCHEMBL7831487 SureChEMBL
    14812141 PubChem: Thomson Pharma
    5311426 PubChem
    The data in this table is sourced from UniChem at EBI.