CID 45054351

4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O5/c1-2-14-32-19-12-8-18(9-13-19)25(31)34-20-10-6-17(7-11-20)15-28-29-23(30)16-33-22-5-3-4-21(26)24(22)27/h3-13,15H,2,14,16H2,1H3,(H,29,30)/b28-15+
InChIKey
FDXNBPYQDXWKRC-RWPZCVJISA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.09058 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.09786 216.8
[M+Na]+ 523.07980 231.2
[M+NH4]+ 518.12440 222.5
[M+K]+ 539.05374 221.9
[M-H]- 499.08330 222.8
[M+Na-2H]- 521.06525 225.3
[M]+ 500.09003 221.1
[M]- 500.09113 221.1
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.