CID 51060834

Methyl 4-((2-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O5/c1-31-24(30)17-11-9-16(10-12-17)14-32-20-7-3-2-5-18(20)13-27-28-22(29)15-33-21-8-4-6-19(25)23(21)26/h2-13H,14-15H2,1H3,(H,28,29)/b27-13+
InChIKey
OMVKPXHVLDWXHW-UVHMKAGCSA-N
Compound name
methyl 4-[[2-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.07492 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 212.4
[M+Na]+ 509.06414 227.0
[M+NH4]+ 504.10874 218.3
[M+K]+ 525.03808 218.0
[M-H]- 485.06764 218.4
[M+Na-2H]- 507.04959 221.2
[M]+ 486.07437 216.7
[M]- 486.07547 216.7
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.