CID 5274058

Ethyl 4-[(5-bromo-2-hydroxy-benzoyl)amino]benzoate

Structural Information

Molecular Formula
C16H14BrNO4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C16H14BrNO4/c1-2-22-16(21)10-3-6-12(7-4-10)18-15(20)13-9-11(17)5-8-14(13)19/h3-9,19H,2H2,1H3,(H,18,20)
InChIKey
QAGMSTBVTOFFLY-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-bromo-2-hydroxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.01062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.01790 173.5
[M+Na]+ 385.99984 182.6
[M-H]- 362.00334 181.3
[M+NH4]+ 381.04444 188.6
[M+K]+ 401.97378 171.2
[M+H-H2O]+ 346.00788 171.2
[M+HCOO]- 408.00882 193.1
[M+CH3COO]- 422.02447 209.8
[M+Na-2H]- 383.98529 176.7
[M]+ 363.01007 193.0
[M]- 363.01117 193.0
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.