CID 9636089

4-(2-((2,4-dichlorophenoxy)ac)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H22Cl2N2O6/c1-3-33-23-12-16(4-10-22(23)35-25(31)17-5-8-19(32-2)9-6-17)14-28-29-24(30)15-34-21-11-7-18(26)13-20(21)27/h4-14H,3,15H2,1-2H3,(H,29,30)/b28-14+
InChIKey
OWUKPRMBRTUDCY-CCVNUDIWSA-N
Compound name
[4-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0855 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.09278 218.4
[M+Na]+ 539.07472 225.2
[M-H]- 515.07822 228.7
[M+NH4]+ 534.11932 225.8
[M+K]+ 555.04866 220.7
[M+H-H2O]+ 499.08276 208.6
[M+HCOO]- 561.08370 234.0
[M+CH3COO]- 575.09935 246.1
[M+Na-2H]- 537.06017 218.0
[M]+ 516.08495 230.0
[M]- 516.08605 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.