CID 9664616

4-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C26H19BrN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C26H19BrN2O5/c1-33-24-11-16(9-10-23(24)34-26(32)19-7-4-8-20(27)12-19)15-28-29-25(31)21-13-17-5-2-3-6-18(17)14-22(21)30/h2-15,30H,1H3,(H,29,31)/b28-15+
InChIKey
OIEFIZAEGDWQRP-RWPZCVJISA-N
Compound name
[4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.0477 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.05498 209.8
[M+Na]+ 541.03692 214.3
[M+NH4]+ 536.08152 212.2
[M+K]+ 557.01086 212.6
[M-H]- 517.04042 214.3
[M+Na-2H]- 539.02237 214.7
[M]+ 518.04715 210.5
[M]- 518.04825 210.5
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.