Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Info

molecular Image
InChI InChI=1S/C22H18Cl2N4O2/c23-15-5-7-25-17(11-15)13-27(14-18-12-16(24)6-8-26-18)9-10-28-21(29)19-3-1-2-4-20(19)22(28)30/h1-8,11-12H,9-10,13-14H2
SMILES Clc1ccnc(c1)CN(Cc1nccc(c1)Cl)CCN1C(=O)c2c(C1=O)cccc2
InChI Key MBUHWDDXOFUZNW-UHFFFAOYSA-N
Molecular Formula C22H18Cl2N4O2
Exact Mass 441.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MBUHWDDXOFUZNW-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/MBUHWDDXOFUZNW-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-21
Related Molecule
  • 2-[2-[bis[(4-chloropyridin-2-yl)methyl]amino]ethyl]isoindole-1,3-dione
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169422768 PubChem
    The data in this table is sourced from UniChem at EBI.