Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C23H38N8.2ClH.Cu/c1-27(2)21-9-11-24-19(15-21)17-31(14-13-26-23(29(5)6)30(7)8)18-20-16-22(28(3)4)10-12-25-20;;;/h9-12,15-16H,13-14,17-18H2,1-8H3;2*1H;/q;;;+2/p-2
SMILES CN(c1ccnc(c1)CN(Cc1nccc(c1)N(C)C)CCN=C(N(C)C)N(C)C)C.[Cl-].[Cl-].[Cu+2]
InChI Key RUGUWNHIXPCMBY-UHFFFAOYSA-L
Molecular Formula C23H38Cl2CuN8
Exact Mass 561.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUGUWNHIXPCMBY-UHFFFAOYSA-L/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/RUGUWNHIXPCMBY-UHFFFAOYSA-L/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:59:15.376689
MetadataModified 2024-09-08T01:59:15.376693
MetadataPublished 2023-11-21
Field Value
Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169422763 PubChem
The data in this table is sourced from UniChem at EBI.