Spectrum VF-NPL-QEHF011764 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
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
C19H22N2O
294.17321332399996
OC(C=1C=CN=C2C=CC=CC21)C3N4CCC(C3)C(C=C)C4
KMPWYEUPVWOPIM-KODHJQJWSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C2_81_p10_A10_NEG_QEHF_2020.raw
7
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.781165004384681
0.5040668323904868
293.1659240722656
[M-H]-
0.04520216456417007 ppm
-1.3251734344521537E-5 Da