CID 51060271

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)-2-ethoxyphenyl benzoate

Structural Information

Molecular Formula
C25H22Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H22Cl2N2O5/c1-3-32-23-13-17(9-11-22(23)34-25(31)18-7-5-4-6-8-18)15-28-29-24(30)16(2)33-21-12-10-19(26)14-20(21)27/h4-16H,3H2,1-2H3,(H,29,30)/b28-15+
InChIKey
IAMNEOFYBHOSJF-RWPZCVJISA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.09058 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.09786 215.7
[M+Na]+ 523.07980 221.6
[M-H]- 499.08330 225.7
[M+NH4]+ 518.12440 223.6
[M+K]+ 539.05374 216.7
[M+H-H2O]+ 483.08784 206.2
[M+HCOO]- 545.08878 230.2
[M+CH3COO]- 559.10443 243.5
[M+Na-2H]- 521.06525 214.7
[M]+ 500.09003 225.1
[M]- 500.09113 225.1
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.