CID 51060403

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

Structural Information

Molecular Formula
C25H21Cl3N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H21Cl3N2O5/c1-3-33-23-12-16(4-11-22(23)35-25(32)20-10-7-18(27)13-21(20)28)14-29-30-24(31)15(2)34-19-8-5-17(26)6-9-19/h4-15H,3H2,1-2H3,(H,30,31)/b29-14+
InChIKey
KZNJVVACRJZHJE-IPPBACCNSA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.0516 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05888 219.3
[M+Na]+ 557.04082 226.2
[M-H]- 533.04432 228.4
[M+NH4]+ 552.08542 226.5
[M+K]+ 573.01476 221.0
[M+H-H2O]+ 517.04886 211.0
[M+HCOO]- 579.04980 228.6
[M+CH3COO]- 593.06545 248.2
[M+Na-2H]- 555.02627 216.9
[M]+ 534.05105 229.8
[M]- 534.05215 229.8
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.