CID 45055295

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O5/c1-3-32-20-11-6-18(7-12-20)25(31)34-21-9-4-17(5-10-21)15-28-29-24(30)16(2)33-23-13-8-19(26)14-22(23)27/h4-16H,3H2,1-2H3,(H,29,30)/b28-15+
InChIKey
HMOXXXYIPZKAPE-RWPZCVJISA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
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 216.0
[M+Na]+ 523.07980 230.0
[M+NH4]+ 518.12440 221.6
[M+K]+ 539.05374 221.6
[M-H]- 499.08330 221.8
[M+Na-2H]- 521.06525 224.2
[M]+ 500.09003 220.2
[M]- 500.09113 220.2
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.