Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C59H33N7O/c1-2-53-61-62-59(67-53)54-55(63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63)44(35-60)56(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)58(66-51-33-17-9-25-42(51)43-26-10-18-34-52(43)66)57(54)65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65/h1,3-34H
SMILES	C#Cc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
InChI Key	GVVBZEXAVPOBNU-UHFFFAOYSA-N
Molecular Formula	C59H33N7O
Exact Mass	855.940 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/GVVBZEXAVPOBNU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GVVBZEXAVPOBNU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:59:06.113425
MetadataModified	2024-09-07T16:23:33.468472
MetadataPublished	2020-01-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915827	PubChem
The data in this table is sourced from UniChem at EBI.