CID 51060328

4-bromo-2-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H21BrCl2N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H21BrCl2N2O5/c1-3-33-20-8-4-16(5-9-20)25(32)35-22-10-6-18(26)12-17(22)14-29-30-24(31)15(2)34-23-11-7-19(27)13-21(23)28/h4-15H,3H2,1-2H3,(H,30,31)/b29-14+
InChIKey
JAHBBBVTQJLIMB-IPPBACCNSA-N
Compound name
[4-bromo-2-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.0011 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.00838 220.0
[M+Na]+ 600.99032 229.0
[M-H]- 576.99382 232.0
[M+NH4]+ 596.03492 229.0
[M+K]+ 616.96426 216.2
[M+H-H2O]+ 560.99836 216.4
[M+HCOO]- 622.99930 232.0
[M+CH3COO]- 637.01495 250.1
[M+Na-2H]- 598.97577 219.5
[M]+ 578.00055 247.0
[M]- 578.00165 247.0
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.