Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H22N.ClH/c1-23-14-12-21(13-15-23)22-16-19-7-6-17-2-4-18(5-3-17)8-10-20(22)11-9-19;/h2-5,9,11-16H,6-8,10H2,1H3;1H/q+1;/p-1
SMILES	C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1.[Cl-]
InChI Key	WNLQRYAGFIMNBW-UHFFFAOYSA-M
Molecular Formula	C22H22ClN
Exact Mass	335.870 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/WNLQRYAGFIMNBW-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WNLQRYAGFIMNBW-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:06:36.914186
MetadataModified	2024-09-08T01:06:36.914191
MetadataPublished	2023-07-27

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168431799	PubChem
The data in this table is sourced from UniChem at EBI.