Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2c(F)c(F)c(c(c2F)F)F)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	ATCQGPIEAJDZIZ-UHFFFAOYSA-N
Molecular Formula	C63H32F5N7O
Exact Mass	997.966 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/ATCQGPIEAJDZIZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ATCQGPIEAJDZIZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:59:41.808434
MetadataModified	2024-09-07T16:24:24.746201
MetadataPublished	2020-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453626	PubChem
The data in this table is sourced from UniChem at EBI.