Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H20N5.ClH/c1-28-17-16-23(24(18-28)26-27-25)19-12-14-22(15-13-19)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21;/h2-18H,1H3;1H/q+1;/p-1
SMILES	[N-]=[N+]=Nc1c[n+](C)ccc1c1ccc(cc1)N(c1ccccc1)c1ccccc1.[Cl-]
InChI Key	VNRJBELPCOZABG-UHFFFAOYSA-M
Molecular Formula	C24H20ClN5
Exact Mass	413.902 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VNRJBELPCOZABG-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VNRJBELPCOZABG-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:34:19.582575
MetadataModified	2024-09-08T01:34:19.582579
MetadataPublished	2023-09-16
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499156	PubChem
The data in this table is sourced from UniChem at EBI.