CID 9665158

2-ethoxy-4-(2-(3-methylbenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC(=C2)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O4/c1-3-31-22-12-16(14-27-28-23(29)17-6-4-5-15(2)11-17)7-10-21(22)32-24(30)19-9-8-18(25)13-20(19)26/h4-14H,3H2,1-2H3,(H,28,29)/b27-14+
InChIKey
PNMVDVPQNKGJQY-MZJWZYIUSA-N
Compound name
[2-ethoxy-4-[(E)-[(3-methylbenzoyl)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

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 210.5
[M+Na]+ 493.06924 218.3
[M-H]- 469.07274 220.9
[M+NH4]+ 488.11384 220.0
[M+K]+ 509.04318 212.1
[M+H-H2O]+ 453.07728 201.3
[M+HCOO]- 515.07822 226.0
[M+CH3COO]- 529.09387 239.0
[M+Na-2H]- 491.05469 209.9
[M]+ 470.07947 219.0
[M]- 470.08057 219.0
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.