CID 9649193

4-((e)-{[(3-chloro-2-methylanilino)(oxo)acetyl]hydrazono}methyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H20Cl3N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H20Cl3N3O5/c1-3-35-22-11-15(7-10-21(22)36-25(34)17-9-8-16(26)12-19(17)28)13-29-31-24(33)23(32)30-20-6-4-5-18(27)14(20)2/h4-13H,3H2,1-2H3,(H,30,32)(H,31,33)/b29-13+
InChIKey
RVPWNZZKKRLUHR-VFLNYLIXSA-N
Compound name
[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.0469 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.05418 224.5
[M+Na]+ 570.03612 231.7
[M-H]- 546.03962 234.0
[M+NH4]+ 565.08072 231.2
[M+K]+ 586.01006 226.4
[M+H-H2O]+ 530.04416 216.4
[M+HCOO]- 592.04510 235.0
[M+CH3COO]- 606.06075 252.8
[M+Na-2H]- 568.02157 221.8
[M]+ 547.04635 234.0
[M]- 547.04745 234.0
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.