CID 49768215

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

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO3/c1-10-7-8-12-13(9-10)19-15(18)16(14(12)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
PBYJXJJQPRTBJS-UHFFFAOYSA-N
Compound name
7-methyl-3-phenyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.0739 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.0
[M+Na]+ 276.06312 164.9
[M-H]- 252.06662 161.2
[M+NH4]+ 271.10772 168.8
[M+K]+ 292.03706 161.5
[M+H-H2O]+ 236.07116 144.6
[M+HCOO]- 298.07210 175.5
[M+CH3COO]- 312.08775 166.9
[M+Na-2H]- 274.04857 161.4
[M]+ 253.07335 156.7
[M]- 253.07445 156.7
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.