Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H17ClN2S/c1-3-20(4-2)14-8-5-12(6-9-14)17-19-15-11-13(18)7-10-16(15)21-17/h5-11H,3-4H2,1-2H3
SMILES	CCN(c1ccc(cc1)c1nc2c(s1)ccc(c2)Cl)CC
InChI Key	QNPXQKVFKDIPED-UHFFFAOYSA-N
Molecular Formula	C17H17ClN2S
Exact Mass	316.848 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QNPXQKVFKDIPED-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QNPXQKVFKDIPED-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:39:17.984358
MetadataModified	2024-09-07T17:16:18.636576
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145944372	PubChem
The data in this table is sourced from UniChem at EBI.