CID 9649205

4-(2-(((4-cl-benzoyl)amino)ac)carbohydrazonoyl)-2-ethoxy-ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H20Cl3N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H20Cl3N3O5/c1-2-35-22-11-15(3-10-21(22)36-25(34)19-9-8-18(27)12-20(19)28)13-30-31-23(32)14-29-24(33)16-4-6-17(26)7-5-16/h3-13H,2,14H2,1H3,(H,29,33)(H,31,32)/b30-13+
InChIKey
LQJPDPZLUSIKME-VVEOGCPPSA-N
Compound name
[4-[(E)-[[2-[(4-chlorobenzoyl)amino]acetyl]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

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.05418 223.7
[M+Na]+ 570.03612 229.9
[M-H]- 546.03962 232.7
[M+NH4]+ 565.08072 230.0
[M+K]+ 586.01006 224.5
[M+H-H2O]+ 530.04416 215.3
[M+HCOO]- 592.04510 234.2
[M+CH3COO]- 606.06075 252.0
[M+Na-2H]- 568.02157 221.7
[M]+ 547.04635 232.9
[M]- 547.04745 232.9
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.