CID 9626774

4-[(e)-({2-[4-(benzyloxy)phenoxy]propanoyl}hydrazono)methyl]-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C32H28Cl2N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C32H28Cl2N2O6/c1-3-39-30-17-23(9-16-29(30)42-32(38)27-15-10-24(33)18-28(27)34)19-35-36-31(37)21(2)41-26-13-11-25(12-14-26)40-20-22-7-5-4-6-8-22/h4-19,21H,3,20H2,1-2H3,(H,36,37)/b35-19+
InChIKey
SCSQDPXXENOAEK-XZYGTATASA-N
Compound name
[2-ethoxy-4-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.13245 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.13973 242.7
[M+Na]+ 629.12167 246.9
[M-H]- 605.12517 255.0
[M+NH4]+ 624.16627 245.5
[M+K]+ 645.09561 242.2
[M+H-H2O]+ 589.12971 230.7
[M+HCOO]- 651.13065 255.9
[M+CH3COO]- 665.14630 262.5
[M+Na-2H]- 627.10712 240.2
[M]+ 606.13190 253.5
[M]- 606.13300 253.5
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.