CID 9665475

3-(2-(4-butoxybenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O4
SMILES
CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O4/c1-2-3-13-32-20-10-7-18(8-11-20)24(30)29-28-16-17-5-4-6-21(14-17)33-25(31)22-12-9-19(26)15-23(22)27/h4-12,14-16H,2-3,13H2,1H3,(H,29,30)/b28-16+
InChIKey
FEJXEPKELMVJAX-LQKURTRISA-N
Compound name
[3-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.09567 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.10295 214.7
[M+Na]+ 507.08489 221.2
[M-H]- 483.08839 224.5
[M+NH4]+ 502.12949 223.3
[M+K]+ 523.05883 214.7
[M+H-H2O]+ 467.09293 205.0
[M+HCOO]- 529.09387 229.8
[M+CH3COO]- 543.10952 240.6
[M+Na-2H]- 505.07034 214.3
[M]+ 484.09512 223.1
[M]- 484.09622 223.1
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.