CID 45055086

3-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21ClN2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O5/c1-16(31-21-12-8-19(25)9-13-21)23(28)27-26-15-17-4-3-5-22(14-17)32-24(29)18-6-10-20(30-2)11-7-18/h3-16H,1-2H3,(H,27,28)/b26-15+
InChIKey
MKKVJJBKSDLNOU-CVKSISIWSA-N
Compound name
[3-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1139 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.12118 206.5
[M+Na]+ 475.10312 211.5
[M-H]- 451.10662 217.0
[M+NH4]+ 470.14772 215.3
[M+K]+ 491.07706 207.6
[M+H-H2O]+ 435.11116 196.1
[M+HCOO]- 497.11210 226.2
[M+CH3COO]- 511.12775 236.0
[M+Na-2H]- 473.08857 207.2
[M]+ 452.11335 213.3
[M]- 452.11445 213.3
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.