Dataset

Nilotinib

This MassBank record with Accession MSBNK-BAFG-CSL2311093252 contains the MS2 mass spectrum of Nilotinib with the InChIkey HHZIURLSWUIHRB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
SMILES Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F
InChI Key HHZIURLSWUIHRB-UHFFFAOYSA-N
Molecular Formula C28H22F3N7O
Exact Mass 529.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093252
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:49:13.886901
MetadataModified 2024-01-11T10:49:14.029589
MetadataPublished 2023-11-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables