CID 135579518

N'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide

Structural Information

Molecular Formula
C15H12Br2N2O4
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C(=C2O)Br)O)Br
InChI
InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKey
BMGXNERTVNWBJG-CNHKJKLMSA-N
Compound name
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

441.91638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.92366 170.9
[M+Na]+ 464.90560 179.2
[M-H]- 440.90910 178.5
[M+NH4]+ 459.95020 183.8
[M+K]+ 480.87954 163.1
[M+H-H2O]+ 424.91364 175.1
[M+HCOO]- 486.91458 186.4
[M+CH3COO]- 500.93023 225.4
[M+Na-2H]- 462.89105 174.2
[M]+ 441.91583 205.0
[M]- 441.91693 205.0
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

patents stripe