Spectrum CCMSLIB00004679930 for 3-epimeloscine

Rating: (*)★(*)★(*)★(*)☆( )☆

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
24314-58-7
InChI=1S/C19H20N2O/c1-2-18-8-5-10-21-11-9-19(17(18)21)13-6-3-4-7-15(13)20-16(22)14(19)12-18/h2-8,14,17H,1,9-12H2,(H,20,22)/t14-,17-,18-,19-/m0/s1
C19H20N2O
292.15756326
OC1=NC=2C=CC=CC2C34CCN5CC=CC(C=C)(CC13)C54
BEMFQIDPZLYEBJ-QZHFEQFPSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
292.158
1
3_epimeloscine.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
5.4395468842642085
0.6691874108686958
293.165
[M+H]+
1.818975662160989 ppm
-5.332599999974263E-4 Da