CID 19661534

4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H16Cl3N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H16Cl3N3O5/c1-33-20-10-13(2-9-19(20)34-23(32)14-3-5-15(24)6-4-14)12-27-29-22(31)21(30)28-16-7-8-17(25)18(26)11-16/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
InChIKey
VZBCTVPWHRVYRU-KKMKTNMSSA-N
Compound name
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.01556 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.02284 216.0
[M+Na]+ 542.00478 229.7
[M+NH4]+ 537.04938 221.1
[M+K]+ 557.97872 221.6
[M-H]- 518.00828 221.3
[M+Na-2H]- 539.99023 223.5
[M]+ 519.01501 220.1
[M]- 519.01611 220.1
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.