CID 6872821

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

Structural Information

Molecular Formula
C25H23ClN2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H23ClN2O6/c1-3-32-23-14-17(15-27-28-24(29)16-33-21-11-7-19(26)8-12-21)4-13-22(23)34-25(30)18-5-9-20(31-2)10-6-18/h4-15H,3,16H2,1-2H3,(H,28,29)/b27-15+
InChIKey
PMIIFEUITZQCBL-JFLMPSFJSA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.12445 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.13173 213.5
[M+Na]+ 505.11367 218.9
[M-H]- 481.11717 224.1
[M+NH4]+ 500.15827 221.3
[M+K]+ 521.08761 215.3
[M+H-H2O]+ 465.12171 202.6
[M+HCOO]- 527.12265 234.0
[M+CH3COO]- 541.13830 241.4
[M+Na-2H]- 503.09912 214.3
[M]+ 482.12390 223.0
[M]- 482.12500 223.0
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.