CID 45055332

4-(2-(2-(2,4-di-cl-phenoxy)propanoyl)carbohydrazonoyl)2-ethoxy-ph 4-meo-benzoate

Structural Information

Molecular Formula
C26H24Cl2N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H24Cl2N2O6/c1-4-34-24-13-17(5-11-23(24)36-26(32)18-6-9-20(33-3)10-7-18)15-29-30-25(31)16(2)35-22-12-8-19(27)14-21(22)28/h5-16H,4H2,1-3H3,(H,30,31)/b29-15+
InChIKey
DZDSSEJFLAHWEP-WKULSOCRSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.10114 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.10842 221.9
[M+Na]+ 553.09036 228.0
[M-H]- 529.09386 232.2
[M+NH4]+ 548.13496 228.7
[M+K]+ 569.06430 224.0
[M+H-H2O]+ 513.09840 212.3
[M+HCOO]- 575.09934 236.3
[M+CH3COO]- 589.11499 249.8
[M+Na-2H]- 551.07581 220.0
[M]+ 530.10059 233.5
[M]- 530.10169 233.5
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.