CID 9687650

4-(2-(2,4-dichlorobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H17Cl3N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17Cl3N2O4/c1-2-31-21-11-14(13-27-28-22(29)18-9-8-17(25)12-19(18)26)3-10-20(21)32-23(30)15-4-6-16(24)7-5-15/h3-13H,2H2,1H3,(H,28,29)/b27-13+
InChIKey
QWUXYKBQVCJRJG-UVHMKAGCSA-N
Compound name
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.0254 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.03268 210.5
[M+Na]+ 513.01462 218.7
[M-H]- 489.01812 219.7
[M+NH4]+ 508.05922 219.5
[M+K]+ 528.98856 212.4
[M+H-H2O]+ 473.02266 202.3
[M+HCOO]- 535.02360 221.0
[M+CH3COO]- 549.03925 239.8
[M+Na-2H]- 511.00007 209.6
[M]+ 490.02485 219.3
[M]- 490.02595 219.3
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.