CID 9631582

2-ethoxy-4-(2-((4-ethylanilino)(oxo)ac)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H23Cl2N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OCC
InChI
InChI=1S/C26H23Cl2N3O5/c1-3-16-5-9-19(10-6-16)30-24(32)25(33)31-29-15-17-7-12-22(23(13-17)35-4-2)36-26(34)20-11-8-18(27)14-21(20)28/h5-15H,3-4H2,1-2H3,(H,30,32)(H,31,33)/b29-15+
InChIKey
KTVRSCHJMFTXQA-WKULSOCRSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.1015 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.10878 223.9
[M+Na]+ 550.09072 236.8
[M+NH4]+ 545.13532 228.5
[M+K]+ 566.06466 228.7
[M-H]- 526.09422 229.6
[M+Na-2H]- 548.07617 231.1
[M]+ 527.10095 227.7
[M]- 527.10205 227.7
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.