CID 9638888

4-(2-nonanoylcarbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H26Cl2N2O3
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C23H26Cl2N2O3/c1-2-3-4-5-6-7-8-22(28)27-26-16-17-9-12-19(13-10-17)30-23(29)20-14-11-18(24)15-21(20)25/h9-16H,2-8H2,1H3,(H,27,28)/b26-16+
InChIKey
SBFIDQQCORJWIG-WGOQTCKBSA-N
Compound name
[4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13205 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13933 208.7
[M+Na]+ 471.12127 214.2
[M-H]- 447.12477 215.0
[M+NH4]+ 466.16587 219.2
[M+K]+ 487.09521 207.2
[M+H-H2O]+ 431.12931 200.5
[M+HCOO]- 493.13025 223.2
[M+CH3COO]- 507.14590 235.5
[M+Na-2H]- 469.10672 207.4
[M]+ 448.13150 216.9
[M]- 448.13260 216.9
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.