CID 135511249

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

Structural Information

Molecular Formula
C16H15BrN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Br)O)O
InChI
InChI=1S/C16H15BrN2O4/c1-2-23-15-7-10(3-6-13(15)20)9-18-19-16(22)12-5-4-11(17)8-14(12)21/h3-9,20-21H,2H2,1H3,(H,19,22)/b18-9+
InChIKey
GWHWNKHCKWWFHM-GIJQJNRQSA-N
Compound name
4-bromo-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0215 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.02878 176.0
[M+Na]+ 401.01072 185.2
[M-H]- 377.01422 183.8
[M+NH4]+ 396.05532 190.4
[M+K]+ 416.98466 173.1
[M+H-H2O]+ 361.01876 172.8
[M+HCOO]- 423.01970 197.3
[M+CH3COO]- 437.03535 215.1
[M+Na-2H]- 398.99617 180.0
[M]+ 378.02095 195.6
[M]- 378.02205 195.6
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.