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

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