Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H21BrN6/c1-12(2)24(13(3)4)22-21-17-15(9-19)10-20-23(17)11-14-5-7-16(18)8-6-14/h5-8,10,12-13H,11H2,1-4H3/b22-21+
SMILES N#Cc1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)Br
InChI Key HUNPOMLAEFCWSA-QURGRASLSA-N
Molecular Formula C17H21BrN6
Exact Mass 389.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HUNPOMLAEFCWSA-QURGRASLSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HUNPOMLAEFCWSA-QURGRASLSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-07-11
Related Molecule
  • 1-[(4-bromophenyl)methyl]-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
    155928542 PubChem
    The data in this table is sourced from UniChem at EBI.