CID 3064824

105889-05-2

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=NNC(=O)OC1(C)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2/c1-8-11(2,15-10(14)13-12-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKey
CWZAHGNWKZHUDH-UHFFFAOYSA-N
Compound name
5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 144.4
[M+Na]+ 227.07909 158.6
[M+NH4]+ 222.12369 153.4
[M+K]+ 243.05303 150.7
[M-H]- 203.08259 148.2
[M+Na-2H]- 225.06454 153.2
[M]+ 204.08932 147.6
[M]- 204.09042 147.6
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.