CID 10937995

Ethyl 4-(6-bromo-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C17H12BrNO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C17H12BrNO5/c1-2-23-16(21)10-3-6-12(7-4-10)19-15(20)13-9-11(18)5-8-14(13)24-17(19)22/h3-9H,2H2,1H3
InChIKey
DTDKDWNBBOPELP-UHFFFAOYSA-N
Compound name
ethyl 4-(6-bromo-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.9899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99718 176.2
[M+Na]+ 411.97912 189.3
[M-H]- 387.98262 186.3
[M+NH4]+ 407.02372 190.1
[M+K]+ 427.95306 179.5
[M+H-H2O]+ 371.98716 173.7
[M+HCOO]- 433.98810 194.8
[M+CH3COO]- 448.00375 214.3
[M+Na-2H]- 409.96457 182.5
[M]+ 388.98935 200.5
[M]- 388.99045 200.5
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.