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]+ 325.154676 177.6
[M+Na]+ 347.136618 186.2
[M-H]- 323.140124 185.5
[M+NH4]+ 342.181223 189.4
[M+K]+ 363.110558 183.1
[M+H-H2O]+ 307.144660 166.9
[M+HCOO]- 369.145601 195.8
[M+CH3COO]- 383.161251 208.6
[M+Na-2H]- 345.122066 182.2
[M]+ 324.14685142 179.8
[M]- 324.14794858 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.