Spectrum CCMSLIB00004722048 for MMV687273

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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
C22H38N2
330.303499216
C(=C(C)C)CCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C
InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7-
JFIBVDBTCDTBRH-IDUWFGFVSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
0.0
1
mmv_positive.mgf
MS2
MMV_POSITIVE
Sirenas MD, mwang87
positive
2.5941087107553695
0.472251901332782
331.311
[M+H]+
1.4162403300797466 ppm
-4.6921599999905084E-4 Da