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 224.6
[M+Na]+ 550.09072 230.4
[M-H]- 526.09422 234.8
[M+NH4]+ 545.13532 231.3
[M+K]+ 566.06466 225.2
[M+H-H2O]+ 510.09876 215.1
[M+HCOO]- 572.09970 240.0
[M+CH3COO]- 586.11535 251.1
[M+Na-2H]- 548.07617 222.9
[M]+ 527.10095 233.3
[M]- 527.10205 233.3
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.