CID 256777

3-benzyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)19-15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
WDEVZFISTMLQTE-UHFFFAOYSA-N
Compound name
3-benzyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.9
[M+Na]+ 276.06312 163.9
[M-H]- 252.06662 160.7
[M+NH4]+ 271.10772 168.4
[M+K]+ 292.03706 160.4
[M+H-H2O]+ 236.07116 144.3
[M+HCOO]- 298.07210 175.4
[M+CH3COO]- 312.08775 166.5
[M+Na-2H]- 274.04857 162.1
[M]+ 253.07335 156.1
[M]- 253.07445 156.1
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.