CID 479921

6,8-dibromo-3-(4-dimethylaminophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H12Br2N2O3
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O
InChI
InChI=1S/C16H12Br2N2O3/c1-19(2)10-3-5-11(6-4-10)20-15(21)12-7-9(17)8-13(18)14(12)23-16(20)22/h3-8H,1-2H3
InChIKey
ANRWJPBBZOXTKB-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[4-(dimethylamino)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

437.92148 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.92876 168.9
[M+Na]+ 460.91070 180.3
[M-H]- 436.91420 179.5
[M+NH4]+ 455.95530 182.6
[M+K]+ 476.88464 166.8
[M+H-H2O]+ 420.91874 174.5
[M+HCOO]- 482.91968 184.1
[M+CH3COO]- 496.93533 228.0
[M+Na-2H]- 458.89615 175.0
[M]+ 437.92093 206.6
[M]- 437.92203 206.6
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.