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/C28H31BrN6/c1-27(2,3)32-25-23(30-20-14-7-9-16-34(20)25)18-12-11-13-19(22(18)29)24-26(33-28(4,5)6)35-17-10-8-15-21(35)31-24/h7-17,32-33H,1-6H3
SMILES Brc1c(cccc1c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key IXUAUZAVCPSYKM-UHFFFAOYSA-N
Molecular Formula C28H31BrN6
Exact Mass 531.490 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IXUAUZAVCPSYKM-UHFFFAOYSA-N/CHMO0000726
License URL
Source https://www.chemotion-repository.net/inchikey/IXUAUZAVCPSYKM-UHFFFAOYSA-N/CHMO0000726
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-02
Related Molecule
  • 2-[2-bromo-3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]-N-tert-butylimidazo[1,2-a]pyridin-3-amine
    • Field Value
    Measurement Technique high resolution fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168665435 PubChem
    The data in this table is sourced from UniChem at EBI.