Dataset

2-Piperidin-3-yl-benzothiazole; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL23111012475 contains the MS2 mass spectrum of 2-Piperidin-3-yl-benzothiazole with the InChIkey PXPKASSSZWCUJE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
SMILES C1CC(CNC1)C2=NC3=CC=CC=C3S2
InChI Key PXPKASSSZWCUJE-UHFFFAOYSA-N
Molecular Formula C12H14N2S
Exact Mass 218.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111012475
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-piperidin-3-yl-1,3-benzothiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31016 BindingDB
    SCHEMBL17141931 SureChEMBL
    CHEMBL1454839 ChEMBL
    MCULE-3533839574 Mcule
    2854149 eMolecules
    2998624 PubChem
    The data in this table is sourced from UniChem at EBI.