CID 45054869

4-(2-(2-chlorobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H23ClN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Cl)OCC
InChI
InChI=1S/C25H23ClN2O5/c1-3-31-19-12-10-18(11-13-19)25(30)33-22-14-9-17(15-23(22)32-4-2)16-27-28-24(29)20-7-5-6-8-21(20)26/h5-16H,3-4H2,1-2H3,(H,28,29)/b27-16+
InChIKey
DOACFWKCRREXHV-JVWAILMASA-N
Compound name
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.12955 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13683 211.6
[M+Na]+ 489.11877 217.3
[M-H]- 465.12227 222.2
[M+NH4]+ 484.16337 220.2
[M+K]+ 505.09271 212.7
[M+H-H2O]+ 449.12681 200.9
[M+HCOO]- 511.12775 231.9
[M+CH3COO]- 525.14340 239.2
[M+Na-2H]- 487.10422 212.1
[M]+ 466.12900 219.7
[M]- 466.13010 219.7
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.