CID 9636657

4-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H20Cl2N2O5/c1-3-32-22-12-15(14-27-28-23(29)17-7-10-19(25)20(26)13-17)4-11-21(22)33-24(30)16-5-8-18(31-2)9-6-16/h4-14H,3H2,1-2H3,(H,28,29)/b27-14+
InChIKey
KDENFLJGHKAKQO-MZJWZYIUSA-N
Compound name
[4-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.07492 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 212.3
[M+Na]+ 509.06414 219.9
[M-H]- 485.06764 222.8
[M+NH4]+ 504.10874 221.1
[M+K]+ 525.03808 214.7
[M+H-H2O]+ 469.07218 203.0
[M+HCOO]- 531.07312 228.1
[M+CH3COO]- 545.08877 241.2
[M+Na-2H]- 507.04959 212.1
[M]+ 486.07437 222.3
[M]- 486.07547 222.3
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.