CID 51060169

2-ethoxy-4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 2,4-di-cl-benzoate

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O5/c1-2-32-21-12-15(14-27-28-23(30)22(29)16-6-4-3-5-7-16)8-11-20(21)33-24(31)18-10-9-17(25)13-19(18)26/h3-14,22,29H,2H2,1H3,(H,28,30)/b27-14+
InChIKey
VWZUCHSYCAMKSU-MZJWZYIUSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.07492 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 210.6
[M+Na]+ 509.06414 216.6
[M-H]- 485.06764 219.6
[M+NH4]+ 504.10874 218.4
[M+K]+ 525.03808 211.1
[M+H-H2O]+ 469.07218 201.8
[M+HCOO]- 531.07312 224.1
[M+CH3COO]- 545.08877 238.7
[M+Na-2H]- 507.04959 209.8
[M]+ 486.07437 218.0
[M]- 486.07547 218.0
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.