CID 9607904

4-(2-(((2-methylbenzoyl)amino)ac)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O4
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O4/c1-15-4-2-3-5-19(15)23(31)27-14-22(30)29-28-13-16-6-9-18(10-7-16)33-24(32)20-11-8-17(25)12-21(20)26/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
InChIKey
PQJQEFCOCXFSRS-XODNFHPESA-N
Compound name
[4-[(E)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.07526 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.08254 212.8
[M+Na]+ 506.06448 226.3
[M+NH4]+ 501.10908 218.3
[M+K]+ 522.03842 217.9
[M-H]- 482.06798 219.0
[M+Na-2H]- 504.04993 221.2
[M]+ 483.07471 216.9
[M]- 483.07581 216.9
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.