Dataset

N-Cyclohexyl-2-benzothiazol-amine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU287905 contains the MS2 mass spectrum of N-Cyclohexyl-2-benzothiazol-amine with the InChIkey UPWPIFMHSFSVLE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)
SMILES C1CCC(CC1)NC1=NC2=CC=CC=C2S1
InChI Key UPWPIFMHSFSVLE-UHFFFAOYSA-N
Molecular Formula C13H16N2S
Exact Mass 232.103 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-Athens_Univ-AU287905
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MetadataPublished 2019-05-31
Related Molecule
  • N-cyclohexyl-1,3-benzothiazol-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2874105 eMolecules
    591790 PubChem
    28291-75-0 ACToR
    191148 ChEBI
    DTXSID50891506 EPA CompTox Dashboard
    ZINC000015015192 ZINC
    SCHEMBL1821019 SureChEMBL
    J104.358G Nikkaji
    The data in this table is sourced from UniChem at EBI.