CID 9639485

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

Structural Information

Molecular Formula
C24H19Cl3N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19Cl3N2O5/c1-2-32-22-11-15(13-28-29-23(30)14-33-18-7-4-16(25)5-8-18)3-10-21(22)34-24(31)19-9-6-17(26)12-20(19)27/h3-13H,2,14H2,1H3,(H,29,30)/b28-13+
InChIKey
QHWVGPKTTWPZGQ-XODNFHPESA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.03595 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.04323 216.3
[M+Na]+ 543.02517 223.8
[M-H]- 519.02867 225.4
[M+NH4]+ 538.06977 224.0
[M+K]+ 558.99911 218.2
[M+H-H2O]+ 503.03321 207.8
[M+HCOO]- 565.03415 226.7
[M+CH3COO]- 579.04980 244.6
[M+Na-2H]- 541.01062 215.2
[M]+ 520.03540 226.8
[M]- 520.03650 226.8
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.