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 151.3
[M+Na]+ 257.08967 160.3
[M-H]- 233.09317 155.1
[M+NH4]+ 252.13427 166.6
[M+K]+ 273.06361 158.5
[M+H-H2O]+ 217.09771 143.4
[M+HCOO]- 279.09865 169.2
[M+CH3COO]- 293.11430 187.9
[M+Na-2H]- 255.07512 157.8
[M]+ 234.09990 151.7
[M]- 234.10100 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.