Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
SMILES	O=C(NCc1ccccc1)NCc1ccccc1
InChI Key	KATOLVAXCGIBLO-UHFFFAOYSA-N
Molecular Formula	C15H16N2O
Exact Mass	240.300 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/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:26:28.190629
MetadataModified	2024-09-08T00:26:38.514639
MetadataPublished	2023-02-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL504463	ChEMBL
857835	eMolecules
15925098	PubChem: Thomson Pharma
1466-67-7	ACToR
ZV725XJ34V	FDA SRS
20026480	NMRShiftDB
MCULE-6455496488	Mcule
SCHEMBL714625	SureChEMBL
J80.122D	Nikkaji
ZINC000000084096	ZINC
XINRIV	CCDC
50248768	BindingDB
CB1884445	ChemicalBook
DTXSID3061710	EPA CompTox Dashboard
72889	PubChem
The data in this table is sourced from UniChem at EBI.