Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C63H37N7O/c64-38-48-58(67-49-30-12-4-22-40(49)41-23-5-13-31-50(41)67)57(63-66-65-62(71-63)39-20-2-1-3-21-39)60(69-53-34-16-8-26-44(53)45-27-9-17-35-54(45)69)61(70-55-36-18-10-28-46(55)47-29-11-19-37-56(47)70)59(48)68-51-32-14-6-24-42(51)43-25-7-15-33-52(43)68/h1-37H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	ATUZFDMBQXVVAX-UHFFFAOYSA-N
Molecular Formula	C63H37N7O
Exact Mass	908.014 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ATUZFDMBQXVVAX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ATUZFDMBQXVVAX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:57:32.368593
MetadataModified	2024-09-07T16:21:24.459431
MetadataPublished	2020-01-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145864155	PubChem
The data in this table is sourced from UniChem at EBI.