Spectrum CCMSLIB00000078010 for Sunitinib Malate (Sutent)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
341031-54-7, 557795-19-4 (free base), 1126641-10-8 ( Maleic acid)
C26H33FN4O7
532.233327616
O=C(O)CC(O)C(=O)O.O=C1NC2=CC=C(F)C=C2C1=CC=3NC(=C(C(=O)NCCN(CC)CC)C3C)C
InChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1
LBWFXVZLPYTWQI-IPOVEDGCSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
398.212
1
Plate1_1_20_GG1_01_16488.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.262372559522447
0.5743525933854309
399.219
[M+H]+
335711.22019743547 ppm
-134.022297616 Da