CID 11034357

7-methoxy-3-(3-nitrophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H10N2O6
SMILES
COC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O6/c1-22-11-5-6-12-13(8-11)23-15(19)16(14(12)18)9-3-2-4-10(7-9)17(20)21/h2-8H,1H3
InChIKey
PFYSWXQDUADVHH-UHFFFAOYSA-N
Compound name
7-methoxy-3-(3-nitrophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0539 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06118 165.9
[M+Na]+ 337.04312 175.8
[M-H]- 313.04662 174.2
[M+NH4]+ 332.08772 177.8
[M+K]+ 353.01706 169.6
[M+H-H2O]+ 297.05116 161.0
[M+HCOO]- 359.05210 189.1
[M+CH3COO]- 373.06775 200.0
[M+Na-2H]- 335.02857 175.4
[M]+ 314.05335 169.8
[M]- 314.05445 169.8
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.