CID 486777

6-benzyl-5-phenyl-1,3-oxazine-2,4-dione

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1=CC=C(C=C1)CC2=C(C(=O)NC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO3/c19-16-15(13-9-5-2-6-10-13)14(21-17(20)18-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,18,19,20)
InChIKey
MSGIHXFZSLSLBE-UHFFFAOYSA-N
Compound name
6-benzyl-5-phenyl-1,3-oxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.1
[M+Na]+ 302.07876 171.6
[M-H]- 278.08226 170.5
[M+NH4]+ 297.12336 174.3
[M+K]+ 318.05270 166.8
[M+H-H2O]+ 262.08680 152.7
[M+HCOO]- 324.08774 183.9
[M+CH3COO]- 338.10339 174.3
[M+Na-2H]- 300.06421 168.9
[M]+ 279.08899 162.7
[M]- 279.09009 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.