Spectrum CCMSLIB00000847918 for NCGC00384935-01!2,2-dimethyl-1,3-dihydroquinazolin-4-one

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
n/a
n/a
InChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13)
C10H12N2O
176.094963004
OC1=NC(NC=2C=CC=CC12)(C)C
BXJMRXBQNLKDCI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
176.095
1
positive
E4_GE4_01_2629.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.3573980461668227
0.5567639934440085
177.102
[M+H]+
5.268173143101283 ppm
-9.330039999895234E-4 Da