CID 10935391

6-methyl-3-(4-nitrophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H10N2O5
SMILES
CC1=CC2=C(C=C1)OC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O5/c1-9-2-7-13-12(8-9)14(18)16(15(19)22-13)10-3-5-11(6-4-10)17(20)21/h2-8H,1H3
InChIKey
IRWFHLDQVZPDAW-UHFFFAOYSA-N
Compound name
6-methyl-3-(4-nitrophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.05896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 163.0
[M+Na]+ 321.04818 173.2
[M-H]- 297.05168 171.3
[M+NH4]+ 316.09278 175.7
[M+K]+ 337.02212 166.3
[M+H-H2O]+ 281.05622 158.4
[M+HCOO]- 343.05716 186.1
[M+CH3COO]- 357.07281 197.8
[M+Na-2H]- 319.03363 172.3
[M]+ 298.05841 165.6
[M]- 298.05951 165.6
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.