CID 478812

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

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)18-14(17)15(13)10-6-2-1-3-7-10/h1-9H
InChIKey
AIPDYRUQGNTLLE-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

239.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.1
[M+Na]+ 262.04746 159.6
[M-H]- 238.05096 156.1
[M+NH4]+ 257.09206 164.2
[M+K]+ 278.02140 156.3
[M+H-H2O]+ 222.05550 139.8
[M+HCOO]- 284.05644 171.0
[M+CH3COO]- 298.07209 162.2
[M+Na-2H]- 260.03291 157.9
[M]+ 239.05769 151.1
[M]- 239.05879 151.1
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

patents stripe