CID 3064829

105889-10-9

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=C(C=C(C=C1)C2(C(=NNC(=O)O2)C)C)C
InChI
InChI=1S/C13H16N2O2/c1-8-5-6-11(7-9(8)2)13(4)10(3)14-15-12(16)17-13/h5-7H,1-4H3,(H,15,16)
InChIKey
XKTAWOSXIUGPTB-UHFFFAOYSA-N
Compound name
6-(3,4-dimethylphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.9
[M+Na]+ 255.11041 167.4
[M+NH4]+ 250.15501 161.6
[M+K]+ 271.08435 159.5
[M-H]- 231.11391 156.8
[M+Na-2H]- 253.09586 160.7
[M]+ 232.12064 156.3
[M]- 232.12174 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.