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 216.5
[M+Na]+ 523.07980 222.7
[M-H]- 499.08330 226.3
[M+NH4]+ 518.12440 224.3
[M+K]+ 539.05374 217.1
[M+H-H2O]+ 483.08784 206.7
[M+HCOO]- 545.08878 231.8
[M+CH3COO]- 559.10443 242.7
[M+Na-2H]- 521.06525 216.4
[M]+ 500.09003 226.3
[M]- 500.09113 226.3
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.