CID 3064836

105889-17-6

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC1=NN(C(=O)OC1(C)C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C13H16N2O3/c1-9-13(2,18-12(16)15(3)14-9)10-5-7-11(17-4)8-6-10/h5-8H,1-4H3
InChIKey
YQHDSOFELPIUBM-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.3
[M+Na]+ 271.10531 164.3
[M-H]- 247.10881 159.8
[M+NH4]+ 266.14991 170.1
[M+K]+ 287.07925 163.2
[M+H-H2O]+ 231.11335 146.2
[M+HCOO]- 293.11429 173.4
[M+CH3COO]- 307.12994 194.7
[M+Na-2H]- 269.09076 160.1
[M]+ 248.11554 157.4
[M]- 248.11664 157.4
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.