Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Info
InChI | InChI=1S/C20H30N6.2ClH.Fe/c1-23(2)19(24(3)4)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(25(5)6)26(7)8;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2 |
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SMILES | CN(C(=Nc1cccc2c1c(ccc2)N=C(N(C)C)N(C)C)N(C)C)C.Cl[Fe]Cl |
InChI Key | QUQGCQVELVOFJG-UHFFFAOYSA-L |
Molecular Formula | C20H30Cl2FeN6 |
Exact Mass | 481.243 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541 |
Version | |
Author | Sonja Herres-Pawlis |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:34:33.259985 |
MetadataModified | 2024-09-08T01:34:33.259991 |
MetadataPublished | 2023-09-18 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation time-of-flight mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168499159 | PubChem |
The data in this table is sourced from UniChem at EBI. |