Spectrum CCMSLIB00001058978 for Pesticide4_Cyprodinil_C14H15N3_2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-

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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
121552-61-2
n/a
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
C14H15N3
225.12659748
N=1C(=NC(=CC1C)C2CC2)NC=3C=CC=CC3
HAORKNGNJCEJBX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Maxis HD qTOF
225.127
1
positive
Pesticide_mix4_BA4_01_8694.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
3.3298371869856154
0.44090738415623537
226.134
[M+H]+
2.5094855262846 ppm
-5.674800000008418E-4 Da