Spectrum VF-NPL-QEHF011766 for CINCHONIDINE

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
C19H22N2O
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
294.173213324
OC(C=1C=CN=C2C=CC=CC21)C3N4CCC(C3)C(C=C)C4
KMPWYEUPVWOPIM-KODHJQJWSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C2_81_p10_A10_NEG_QEHF_2020.raw
7
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.7469076595924973
0.3463732719520554
293.1659240722656
[M-H]-
0.04520216475806511 ppm
-1.3251734401364956E-5 Da