Spectrum MoNA016957 for Coronaridine

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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
InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1
NVVDQMVGALBDGE-KSWFMABOSA-N
C21H26N2O2
338.199428072
O=C(OC)C12C=3NC=4C=CC=CC4C3CCN5CC(CC(CC)C51)C2

Mass Spectral Metadata

NameValue
Waters SYNAPT QTOF
25eV
argon
Waters YMC AQ 2.1 x 100 mm 3um C18
0.1% formic acid
acetonitrile
10-95%B over 30 min
0.2 ml/min
30 C
10.4 min
isolated
License CC-BY-NC-SA 4.0 International
UIC Center for Botanical Dietary Supplements Research
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Dejan Nikolic
positive
1.5029438204459848
0.3270739109017938
339.2073
[M+H]
0.2891211362913666 ppm
-9.807200001432648E-5 Da