CID 135511250

4-bromo-n-[(e)-(2,4-dihydroxy-6-methyl-phenyl)methyleneamino]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C15H13BrN2O4
SMILES
CC1=CC(=CC(=C1/C=N/NC(=O)C2=C(C=C(C=C2)Br)O)O)O
InChI
InChI=1S/C15H13BrN2O4/c1-8-4-10(19)6-14(21)12(8)7-17-18-15(22)11-3-2-9(16)5-13(11)20/h2-7,19-21H,1H3,(H,18,22)/b17-7+
InChIKey
XPSJNEFCKJCITE-REZTVBANSA-N
Compound name
4-bromo-N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.00586 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01314 172.2
[M+Na]+ 386.99508 182.0
[M-H]- 362.99858 179.2
[M+NH4]+ 382.03968 186.6
[M+K]+ 402.96902 169.4
[M+H-H2O]+ 347.00312 169.4
[M+HCOO]- 409.00406 192.2
[M+CH3COO]- 423.01971 211.5
[M+Na-2H]- 384.98053 175.4
[M]+ 364.00531 190.0
[M]- 364.00641 190.0
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.