CID 9671271

4-(2-((2,3-dichloroanilino)(oxo)ac)carbohydrazonoyl)-2-meo-ph 4-methoxybenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O6
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=C(C(=CC=C3)Cl)Cl)OC
InChI
InChI=1S/C24H19Cl2N3O6/c1-33-16-9-7-15(8-10-16)24(32)35-19-11-6-14(12-20(19)34-2)13-27-29-23(31)22(30)28-18-5-3-4-17(25)21(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
InChIKey
KWCRPZCOCATJHC-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.06506 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.07234 217.3
[M+Na]+ 538.05428 223.8
[M-H]- 514.05778 228.0
[M+NH4]+ 533.09888 224.5
[M+K]+ 554.02822 219.8
[M+H-H2O]+ 498.06232 208.0
[M+HCOO]- 560.06326 233.6
[M+CH3COO]- 574.07891 247.6
[M+Na-2H]- 536.03973 217.0
[M]+ 515.06451 226.8
[M]- 515.06561 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.