Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H14N2O/c23-16-18-11-14-20(15-12-18)22(25)24-21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,(H,24,25)
SMILES	N#Cc1ccc(cc1)C(=O)Nc1ccccc1C#Cc1ccccc1
InChI Key	CBBSOUUOUKKSRR-UHFFFAOYSA-N
Molecular Formula	C22H14N2O
Exact Mass	322.359 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/CBBSOUUOUKKSRR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CBBSOUUOUKKSRR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:06:15.934272
MetadataModified	2024-09-08T00:00:30.867915
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166175713	PubChem
The data in this table is sourced from UniChem at EBI.