CID 3064826

105889-07-4

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=NN(C(=O)OC1(C)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-14-18(2,16-11-7-4-8-12-16)22-17(21)20(19-14)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3
InChIKey
ZKPMPOFZLBDAGZ-UHFFFAOYSA-N
Compound name
3-benzyl-5,6-dimethyl-6-phenyl-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.4
[M+Na]+ 317.12606 186.1
[M+NH4]+ 312.17066 178.8
[M+K]+ 333.10000 175.9
[M-H]- 293.12956 176.5
[M+Na-2H]- 315.11151 180.9
[M]+ 294.13629 174.2
[M]- 294.13739 174.2
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.