CID 9624339

2-ethoxy-4-(2-(4-ethoxybenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OCC
InChI
InChI=1S/C25H22Cl2N2O5/c1-3-32-19-9-6-17(7-10-19)24(30)29-28-15-16-5-12-22(23(13-16)33-4-2)34-25(31)20-11-8-18(26)14-21(20)27/h5-15H,3-4H2,1-2H3,(H,29,30)/b28-15+
InChIKey
SKOGPDSENXLDPT-RWPZCVJISA-N
Compound name
[2-ethoxy-4-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.09058 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.09786 216.8
[M+Na]+ 523.07980 223.9
[M-H]- 499.08330 227.1
[M+NH4]+ 518.12440 225.0
[M+K]+ 539.05374 218.5
[M+H-H2O]+ 483.08784 207.2
[M+HCOO]- 545.08878 232.2
[M+CH3COO]- 559.10443 244.0
[M+Na-2H]- 521.06525 216.0
[M]+ 500.09003 227.0
[M]- 500.09113 227.0
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.