CID 45055215

3-(2-((4-ethylphenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
CCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O4/c1-2-16-6-9-19(10-7-16)31-15-23(29)28-27-14-17-4-3-5-20(12-17)32-24(30)21-11-8-18(25)13-22(21)26/h3-14H,2,15H2,1H3,(H,28,29)/b27-14+
InChIKey
DJERQJKNKCPTHT-MZJWZYIUSA-N
Compound name
[3-[(E)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.08002 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 210.2
[M+Na]+ 493.06924 217.2
[M-H]- 469.07274 220.3
[M+NH4]+ 488.11384 219.5
[M+K]+ 509.04318 210.9
[M+H-H2O]+ 453.07728 200.8
[M+HCOO]- 515.07822 225.8
[M+CH3COO]- 529.09387 237.8
[M+Na-2H]- 491.05469 210.4
[M]+ 470.07947 218.4
[M]- 470.08057 218.4
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.