CID 9624770

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O4/c1-2-15-3-8-18(9-4-15)28-22(30)23(31)29-27-14-16-5-10-19(11-6-16)33-24(32)20-12-7-17(25)13-21(20)26/h3-14H,2H2,1H3,(H,28,30)(H,29,31)/b27-14+
InChIKey
AYWOYYNTAROEFI-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.07526 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.08254 213.7
[M+Na]+ 506.06448 219.9
[M-H]- 482.06798 223.9
[M+NH4]+ 501.10908 222.1
[M+K]+ 522.03842 213.9
[M+H-H2O]+ 466.07252 204.5
[M+HCOO]- 528.07346 229.6
[M+CH3COO]- 542.08911 241.9
[M+Na-2H]- 504.04993 213.4
[M]+ 483.07471 220.0
[M]- 483.07581 220.0
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.