CID 463050

Chembl1288721

Structural Information

Molecular Formula
C15H10BrNO3
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C15H10BrNO3/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)20-15(17)19/h2-8H,1H3
InChIKey
HPFHABSOJUXALI-UHFFFAOYSA-N
Compound name
6-bromo-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.9844 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99168 163.2
[M+Na]+ 353.97362 177.9
[M-H]- 329.97712 173.7
[M+NH4]+ 349.01822 179.8
[M+K]+ 369.94756 167.1
[M+H-H2O]+ 313.98166 161.6
[M+HCOO]- 375.98260 183.1
[M+CH3COO]- 389.99825 178.3
[M+Na-2H]- 351.95907 171.5
[M]+ 330.98385 185.6
[M]- 330.98495 185.6
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.