CID 9635870

3-(2-((4-isopropylphenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H22Cl2N2O4
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O4/c1-16(2)18-6-9-20(10-7-18)32-15-24(30)29-28-14-17-4-3-5-21(12-17)33-25(31)22-11-8-19(26)13-23(22)27/h3-14,16H,15H2,1-2H3,(H,29,30)/b28-14+
InChIKey
ZAMXMBNRJGBDLI-CCVNUDIWSA-N
Compound name
[3-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]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 213.8
[M+Na]+ 507.08489 220.0
[M-H]- 483.08839 223.8
[M+NH4]+ 502.12949 222.5
[M+K]+ 523.05883 214.2
[M+H-H2O]+ 467.09293 204.6
[M+HCOO]- 529.09387 228.2
[M+CH3COO]- 543.10952 241.4
[M+Na-2H]- 505.07034 212.6
[M]+ 484.09512 221.9
[M]- 484.09622 221.9
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.