Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C54H42N6/c1-31-19-37(20-32(2)55-31)46-28-52(58-49-16-10-7-13-43(46)49)40-25-41(53-29-47(38-21-33(3)56-34(4)22-38)44-14-8-11-17-50(44)59-53)27-42(26-40)54-30-48(39-23-35(5)57-36(6)24-39)45-15-9-12-18-51(45)60-54/h7-30H,1-6H3
SMILES Cc1nc(C)cc(c1)c1cc(nc2c1cccc2)c1cc(cc(c1)c1nc2ccccc2c(c1)c1cc(C)nc(c1)C)c1nc2ccccc2c(c1)c1cc(C)nc(c1)C
InChI Key DIPWHGRONXMEEO-UHFFFAOYSA-N
Molecular Formula C54H42N6
Exact Mass 774.951 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIPWHGRONXMEEO-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/DIPWHGRONXMEEO-UHFFFAOYSA-N/CHMO0000563
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-21
Related Molecule
  • 2-[3,5-bis[4-(2,6-dimethylpyridin-4-yl)quinolin-2-yl]phenyl]-4-(2,6-dimethylpyridin-4-yl)quinoline
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162369936 pubchem
    The data in this table is sourced from UniChem at EBI.