Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Information

molecular Image
InChI InChI=1S/C18H21BrN4O2/c1-18(2,3)22-17-16(21-15-10-20-6-7-23(15)17)11-8-13(24-4)14(25-5)9-12(11)19/h6-10,22H,1-5H3
SMILES COc1cc(c(cc1OC)Br)c1nc2n(c1NC(C)(C)C)ccnc2
InChI Key BXFGUOURKQXMMO-UHFFFAOYSA-N
Molecular Formula C18H21BrN4O2
Exact Mass 405.289 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000726.1
License URL
Source https://www.chemotion-repository.net/inchikey/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000726.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-23
Related Molecule
  • 2-(2-bromo-4,5-dimethoxyphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-3-amine
    • Field Value
    Measurement Technique high resolution fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166451856 PubChem
    The data in this table is sourced from UniChem at EBI.