Spectrum CCMSLIB00004680017 for Novacine

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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
466-64-8
InChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3/t14-,19-,22-,23-,24+/m0/s1
C24H28N2O5
424.19982199599997
O=C1N2C3=CC(OC)=C(OC)C=C3C45C(=O)CC6C(=CCOC(C1)C6C24)CN(C)CC5
POLBLONFVZXVPI-SVFVWZOVSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
424.2
1
Novacine.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
4.838786539485657
0.8190112749137071
425.207
[M+H]+
1.8626127979439897 ppm
-7.919959999753701E-4 Da