Spectrum CCMSLIB00004679962 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
467-77-6
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
C21H26N2O2
338.199428072
O=C(OC)C12C=3NC=4C=CC=CC4C3CCN5CC(CC(CC)C51)C2
NVVDQMVGALBDGE-PXGDHZSWSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
338.199
1
Coronaridine.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
4.75291238551345
0.5613347472028244
339.207
[M+H]+
1.1735371027008987 ppm
-3.9807199999586373E-4 Da