Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c(c(c1n1c2ccccc2c2c1cccc2)c1nnn[nH]1)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	OMAXCWQOBAUFQV-UHFFFAOYSA-N
Molecular Formula	C56H33N9
Exact Mass	831.922 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/OMAXCWQOBAUFQV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OMAXCWQOBAUFQV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:01:40.686476
MetadataModified	2024-09-07T16:27:17.533744
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915831	PubChem
The data in this table is sourced from UniChem at EBI.