Spectrum CCMSLIB00000850601 for NCGC00094872-09_C17H19NO3_(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one

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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
495-91-0
n/a
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
C17H19NO3
285.136493468
O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3
MXXWOMGUGJBKIW-YPCIICBESA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
285.137
1
positive
E5_GE5_01_8079.mzXML
MS2
mwang87, Jadhav/Dorrestein, lfnothias
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
2.8710183758341308
0.3851575044978826
286.144
[M+H]+
1.6197019683125946 ppm
-4.634680000208391E-4 Da