Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C58H35N7O/c1-35-60-61-58(66-35)53-54(62-45-26-10-2-18-36(45)37-19-3-11-27-46(37)62)44(34-59)55(63-47-28-12-4-20-38(47)39-21-5-13-29-48(39)63)57(65-51-32-16-8-24-42(51)43-25-9-17-33-52(43)65)56(53)64-49-30-14-6-22-40(49)41-23-7-15-31-50(41)64/h2-33H,1H3
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c(c(c1n1c2ccccc2c2c1cccc2)c1nnc(o1)C)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	ZNGNHXGIDLUNAS-UHFFFAOYSA-N
Molecular Formula	C58H35N7O
Exact Mass	845.945 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/ZNGNHXGIDLUNAS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZNGNHXGIDLUNAS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:55:55.248558
MetadataModified	2024-09-07T16:19:01.151331
MetadataPublished	2019-12-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453802	PubChem
The data in this table is sourced from UniChem at EBI.