CID 51060200

4-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20Cl2N2O5/c1-15(32-18-10-8-17(25)9-11-18)23(29)28-27-14-16-7-12-21(22(13-16)31-2)33-24(30)19-5-3-4-6-20(19)26/h3-15H,1-2H3,(H,28,29)/b27-14+
InChIKey
VSCYWLFZPPDVCR-MZJWZYIUSA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2-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 211.3
[M+Na]+ 509.06414 217.7
[M-H]- 485.06764 221.5
[M+NH4]+ 504.10874 219.7
[M+K]+ 525.03808 212.9
[M+H-H2O]+ 469.07218 202.0
[M+HCOO]- 531.07312 226.1
[M+CH3COO]- 545.08877 240.7
[M+Na-2H]- 507.04959 210.8
[M]+ 486.07437 220.4
[M]- 486.07547 220.4
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.