CID 51060236

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

Structural Information

Molecular Formula
C25H20Cl4N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H20Cl4N2O5/c1-3-34-23-10-15(4-8-22(23)36-25(33)18-7-5-16(26)11-19(18)28)13-30-31-24(32)14(2)35-21-9-6-17(27)12-20(21)29/h4-14H,3H2,1-2H3,(H,31,32)/b30-13+
InChIKey
RKEYSVOLWYEGLB-VVEOGCPPSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.01263 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.01991 222.4
[M+Na]+ 591.00185 229.7
[M-H]- 567.00535 230.0
[M+NH4]+ 586.04645 228.6
[M+K]+ 606.97579 224.8
[M+H-H2O]+ 551.00989 215.1
[M+HCOO]- 613.01083 226.3
[M+CH3COO]- 627.02648 252.5
[M+Na-2H]- 588.98730 218.4
[M]+ 568.01208 232.8
[M]- 568.01318 232.8
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.