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/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3
SMILES CCCCCNc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3c1nc2n(c1NCCCCC)cccc2
InChI Key NGPFPSHZDMLAMO-UHFFFAOYSA-N
Molecular Formula C40H46N6
Exact Mass 610.833 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0000726
License URL
Source https://www.chemotion-repository.net/inchikey/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0000726
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-07-25
Related Molecule
  • N-pentyl-2-[11-[3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]imidazo[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
    164889655 PubChem
    The data in this table is sourced from UniChem at EBI.