Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H22N6/c1-13(2)23(14(3)4)21-20-17-16(10-18)11-19-22(17)12-15-8-6-5-7-9-15/h5-9,11,13-14H,12H2,1-4H3/b21-20+
SMILES CC(N(C(C)C)/N=N/c1n(ncc1C#N)Cc1ccccc1)C
InChI Key AQYSAXXLCHFEGV-QZQOTICOSA-N
Molecular Formula C17H22N6
Exact Mass 310.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQYSAXXLCHFEGV-QZQOTICOSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/AQYSAXXLCHFEGV-QZQOTICOSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-benzyl-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carbonitrile
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155928578 PubChem
    The data in this table is sourced from UniChem at EBI.