Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
SMILES	Clc1nc(nc(n1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI Key	NLAAIBGZDQFCAO-UHFFFAOYSA-N
Molecular Formula	C23H26ClN3
Exact Mass	379.926 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/NLAAIBGZDQFCAO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NLAAIBGZDQFCAO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:52:46.222301
MetadataModified	2024-09-07T18:54:44.543319
MetadataPublished	2020-10-05
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB03150786	ChemicalBook
SCHEMBL783069	SureChEMBL
22475991	PubChem
The data in this table is sourced from UniChem at EBI.