CID 3064837

105889-18-7

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC1=NN(C(=O)OC1(C)C2=CC=C(C=C2)OC)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-14-19(2,16-9-11-17(23-3)12-10-16)24-18(22)21(20-14)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKey
QXKAZCATGYIGQZ-UHFFFAOYSA-N
Compound name
3-benzyl-6-(4-methoxyphenyl)-5,6-dimethyl-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.6
[M+Na]+ 347.13662 186.2
[M-H]- 323.14012 185.5
[M+NH4]+ 342.18122 189.4
[M+K]+ 363.11056 183.1
[M+H-H2O]+ 307.14466 166.9
[M+HCOO]- 369.14560 195.8
[M+CH3COO]- 383.16125 208.6
[M+Na-2H]- 345.12207 182.2
[M]+ 324.14685 179.8
[M]- 324.14795 179.8
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.