CID 9575485

4-bromo-2-hydroxy-n-[(e)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]benzamide

Structural Information

Molecular Formula
C15H13BrN2O4
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Br)O)O
InChI
InChI=1S/C15H13BrN2O4/c1-22-14-5-2-9(6-13(14)20)8-17-18-15(21)11-4-3-10(16)7-12(11)19/h2-8,19-20H,1H3,(H,18,21)/b17-8+
InChIKey
QKCKSEUIRLXUBM-CAOOACKPSA-N
Compound name
4-bromo-2-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.00586 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01314 171.6
[M+Na]+ 386.99508 181.1
[M-H]- 362.99858 179.5
[M+NH4]+ 382.03968 186.4
[M+K]+ 402.96902 169.2
[M+H-H2O]+ 347.00312 168.5
[M+HCOO]- 409.00406 193.2
[M+CH3COO]- 423.01971 212.3
[M+Na-2H]- 384.98053 176.0
[M]+ 364.00531 190.8
[M]- 364.00641 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.