CID 9633262

2-meo-4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C24H19Cl2N3O5/c1-14-3-7-17(8-4-14)28-22(30)23(31)29-27-13-15-5-10-20(21(11-15)33-2)34-24(32)18-9-6-16(25)12-19(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
InChIKey
PWVMVQKTRMMICX-UVHMKAGCSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.0702 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07748 215.2
[M+Na]+ 522.05942 228.6
[M+NH4]+ 517.10402 220.2
[M+K]+ 538.03336 220.9
[M-H]- 498.06292 221.0
[M+Na-2H]- 520.04487 223.0
[M]+ 499.06965 219.1
[M]- 499.07075 219.1
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.