CID 6872927

4-{2-[(4-chlorophenoxy)acetyl]carbohydrazonoyl}-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20Cl2N2O5/c1-2-31-22-13-16(3-12-21(22)33-24(30)17-4-6-18(25)7-5-17)14-27-28-23(29)15-32-20-10-8-19(26)9-11-20/h3-14H,2,15H2,1H3,(H,28,29)/b27-14+
InChIKey
BTDADRGRMQTDOI-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.07492 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 212.1
[M+Na]+ 509.06414 218.7
[M-H]- 485.06764 222.1
[M+NH4]+ 504.10874 220.5
[M+K]+ 525.03808 213.3
[M+H-H2O]+ 469.07218 202.5
[M+HCOO]- 531.07312 227.8
[M+CH3COO]- 545.08877 239.9
[M+Na-2H]- 507.04959 212.5
[M]+ 486.07437 221.6
[M]- 486.07547 221.6
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.