CID 9671041

4-(2-((2,3-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=C(C(=CC=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H16Cl3N3O5/c1-33-19-11-13(5-10-18(19)34-23(32)14-6-8-15(24)9-7-14)12-27-29-22(31)21(30)28-17-4-2-3-16(25)20(17)26/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
InChIKey
AYMPCYHMKYPULH-KKMKTNMSSA-N
Compound name
[4-[(E)-[[2-(2,3-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 215.5
[M+Na]+ 542.00478 222.7
[M-H]- 518.00828 225.0
[M+NH4]+ 537.04938 223.0
[M+K]+ 557.97872 217.6
[M+H-H2O]+ 502.01282 207.6
[M+HCOO]- 564.01376 226.7
[M+CH3COO]- 578.02941 246.0
[M+Na-2H]- 539.99023 214.5
[M]+ 519.01501 224.0
[M]- 519.01611 224.0
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.