CID 9649191

4-(2-decanoylcarbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H32Cl2N2O4
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC
InChI
InChI=1S/C26H32Cl2N2O4/c1-3-5-6-7-8-9-10-11-25(31)30-29-18-19-12-15-23(24(16-19)33-4-2)34-26(32)21-14-13-20(27)17-22(21)28/h12-18H,3-11H2,1-2H3,(H,30,31)/b29-18+
InChIKey
BYUXPLZUJLMUFW-RDRPBHBLSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.17392 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.18120 224.0
[M+Na]+ 529.16314 228.9
[M-H]- 505.16664 230.1
[M+NH4]+ 524.20774 232.4
[M+K]+ 545.13708 222.2
[M+H-H2O]+ 489.17118 215.2
[M+HCOO]- 551.17212 237.7
[M+CH3COO]- 565.18777 247.3
[M+Na-2H]- 527.14859 220.7
[M]+ 506.17337 235.1
[M]- 506.17447 235.1
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.