CID 9672002

4-{(e)-[(1,3-benzodioxol-5-ylcarbonyl)hydrazono]methyl}-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H18Cl2N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H18Cl2N2O6/c1-2-31-21-9-14(3-7-20(21)34-24(30)17-6-5-16(25)11-18(17)26)12-27-28-23(29)15-4-8-19-22(10-15)33-13-32-19/h3-12H,2,13H2,1H3,(H,28,29)/b27-12+
InChIKey
CDZFUICNEZPSMT-KKMKTNMSSA-N
Compound name
[4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.0542 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.06148 219.2
[M+Na]+ 523.04342 226.9
[M-H]- 499.04692 232.0
[M+NH4]+ 518.08802 227.3
[M+K]+ 539.01736 224.2
[M+H-H2O]+ 483.05146 210.9
[M+HCOO]- 545.05240 232.0
[M+CH3COO]- 559.06805 242.1
[M+Na-2H]- 521.02887 219.5
[M]+ 500.05365 230.0
[M]- 500.05475 230.0
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.