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]+ 295.144116 170.1
[M+Na]+ 317.126058 178.4
[M-H]- 293.129564 177.8
[M+NH4]+ 312.170663 182.9
[M+K]+ 333.099998 174.7
[M+H-H2O]+ 277.134100 159.5
[M+HCOO]- 339.135041 188.5
[M+CH3COO]- 353.150691 181.2
[M+Na-2H]- 315.111506 175.8
[M]+ 294.13629142 170.1
[M]- 294.13738858 170.1
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.