Spectrum VF-NPL-QEHF011775 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
294.173213324
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_POS_QEHF_2016.raw
7
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.774548319337426
0.7260845387879984
312.20703125
[M+NH4]+
15.252936428032925 ppm
-0.004762074000041139 Da