CID 135511254

4-bromo-2-hydroxy-n-[(e)-(8-hydroxy-2-quinolyl)methyleneamino]benzamide

Structural Information

Molecular Formula
C17H12BrN3O3
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)Br)O
InChI
InChI=1S/C17H12BrN3O3/c18-11-5-7-13(15(23)8-11)17(24)21-19-9-12-6-4-10-2-1-3-14(22)16(10)20-12/h1-9,22-23H,(H,21,24)/b19-9+
InChIKey
UXHIAVVVQMKELG-DJKKODMXSA-N
Compound name
4-bromo-2-hydroxy-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.0062 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.01348 177.2
[M+Na]+ 407.99542 187.1
[M-H]- 383.99892 184.7
[M+NH4]+ 403.04002 190.8
[M+K]+ 423.96936 174.2
[M+H-H2O]+ 368.00346 173.9
[M+HCOO]- 430.00440 196.6
[M+CH3COO]- 444.02005 216.3
[M+Na-2H]- 405.98087 184.0
[M]+ 385.00565 195.3
[M]- 385.00675 195.3
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.