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]+ 235.10773 151.8
[M+Na]+ 257.08967 165.6
[M+NH4]+ 252.13427 160.0
[M+K]+ 273.06361 158.2
[M-H]- 233.09317 155.1
[M+Na-2H]- 255.07512 159.6
[M]+ 234.09990 154.8
[M]- 234.10100 154.8
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.