CID 51060187

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C24H19BrCl2N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19BrCl2N2O5/c1-14(33-20-9-7-18(26)12-19(20)27)23(30)29-28-13-15-6-8-21(22(10-15)32-2)34-24(31)16-4-3-5-17(25)11-16/h3-14H,1-2H3,(H,29,30)/b28-13+
InChIKey
AXCQTXIUQRVSLF-XODNFHPESA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.9854 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.99268 215.7
[M+Na]+ 586.97462 225.0
[M-H]- 562.97812 227.8
[M+NH4]+ 582.01922 225.2
[M+K]+ 602.94856 212.5
[M+H-H2O]+ 546.98266 212.2
[M+HCOO]- 608.98360 228.0
[M+CH3COO]- 622.99925 247.5
[M+Na-2H]- 584.96007 215.6
[M]+ 563.98485 242.3
[M]- 563.98595 242.3
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.