Spectrum CCMSLIB00005436293 for N-methyl-10-methoxy-16-epi-pericyclivine N-oxide

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C22H26N2O4/c1-5-12-11-24(26)18-10-16-15-8-13(27-3)6-7-17(15)23(2)21(16)19(24)9-14(12)20(18)22(25)28-4/h5-8,14,18-20H,9-11H2,1-4H3/b12-5-/t14-,18-,19-,20-,24-/m0/s1
C22H26N2O4
382.189257312
O=C(OC)C1C2C(=CC)CN3(=O)C(C4=C(C=5C=C(OC)C=CC5N4C)CC13)C2
OQDYIJYNQXLBMK-SENIJRDFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
382.189
1
f.mbeniddir/MIADB_1spectra/N-methyl-10-methoxy-16-epi-pericyclivine N-oxide.mgf;
MS2
GNPS-LIBRARY
mbeniddir, Mehdi Beniddir, Alexander Fox
positive
4.529397686915667
0.7936411733434363
383.195
[M+H]+
5.81247667637171 ppm
-0.0022273120000022573 Da