Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H22N.HI/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.[I-]
InChI Key	HTDJDZOPDBAGQF-UHFFFAOYSA-M
Molecular Formula	C22H22IN
Exact Mass	427.321 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HTDJDZOPDBAGQF-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HTDJDZOPDBAGQF-UHFFFAOYSA-M/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:12:09.302624
MetadataModified	2024-09-08T04:12:09.302629
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138403282	PubChem
The data in this table is sourced from UniChem at EBI.