CID 51060972

Methyl 4-((2-(2-(((3,4-dichlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C25H21Cl2N3O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H21Cl2N3O5/c1-34-25(33)17-8-6-16(7-9-17)15-35-22-5-3-2-4-19(22)13-29-30-23(31)14-28-24(32)18-10-11-20(26)21(27)12-18/h2-13H,14-15H2,1H3,(H,28,32)(H,30,31)/b29-13+
InChIKey
JAXUQRVOIFFVMA-VFLNYLIXSA-N
Compound name
methyl 4-[[2-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0858 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.09308 219.2
[M+Na]+ 536.07502 231.9
[M+NH4]+ 531.11962 223.9
[M+K]+ 552.04896 223.9
[M-H]- 512.07852 224.9
[M+Na-2H]- 534.06047 226.9
[M]+ 513.08525 222.9
[M]- 513.08635 222.9
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.