CID 3064835

105889-16-5

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1=NNC(=O)OC1(C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H14N2O3/c1-8-12(2,17-11(15)14-13-8)9-4-6-10(16-3)7-5-9/h4-7H,1-3H3,(H,14,15)
InChIKey
OKHLFHJMASBNOP-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.3
[M+Na]+ 257.089668 160.3
[M-H]- 233.093174 155.1
[M+NH4]+ 252.134273 166.6
[M+K]+ 273.063608 158.5
[M+H-H2O]+ 217.097710 143.4
[M+HCOO]- 279.098651 169.2
[M+CH3COO]- 293.114301 187.9
[M+Na-2H]- 255.075116 157.8
[M]+ 234.09990142 151.7
[M]- 234.10099858 151.7
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.