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 213.4
[M+Na]+ 506.06448 219.4
[M-H]- 482.06798 223.5
[M+NH4]+ 501.10908 221.7
[M+K]+ 522.03842 213.5
[M+H-H2O]+ 466.07252 204.2
[M+HCOO]- 528.07346 229.2
[M+CH3COO]- 542.08911 242.6
[M+Na-2H]- 504.04993 213.1
[M]+ 483.07471 219.7
[M]- 483.07581 219.7
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.