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]+ 453.121176 206.5
[M+Na]+ 475.103118 211.5
[M-H]- 451.106624 217.0
[M+NH4]+ 470.147723 215.3
[M+K]+ 491.077058 207.6
[M+H-H2O]+ 435.111160 196.1
[M+HCOO]- 497.112101 226.2
[M+CH3COO]- 511.127751 236.0
[M+Na-2H]- 473.088566 207.2
[M]+ 452.11335142 213.3
[M]- 452.11444858 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.