Cobimetinib

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Systematic / IUPAC Name: [3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-(3-hydroxy-3-piperidin-2-ylazetidin-1-yl)methanone

ID: Reference8300

Other Names: [3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone;
Methanone, [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2-piperidinyl)-1-azetidinyl]-

Formula: C21H21F3IN3O2

Spectral Data

Cobimetinib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2018 12:25:00 PM
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Identificators

InChI InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2
InChI Key BSMCAPRUBJMWDF-UHFFFAOYSA-N
Canonical SMILES C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
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Other Names [3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone;
Methanone, [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2-piperidinyl)-1-azetidinyl]-

In Other Databases

ChemSpider 28637758
ChemIDPlus 934660932
PubChem 51038893
Wikipedia Cobimetinib