CID 51060418

2-methoxy-4-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O5
SMILES
CC1=CC(=CC=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/c1-14-4-3-5-17(10-14)28-22(30)23(31)29-27-13-15-6-9-20(21(11-15)33-2)34-24(32)18-8-7-16(25)12-19(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
InChIKey
HLPJBAWLVJWRAX-UVHMKAGCSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(3-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 215.9
[M+Na]+ 522.05942 222.6
[M-H]- 498.06292 226.5
[M+NH4]+ 517.10402 223.8
[M+K]+ 538.03336 217.7
[M+H-H2O]+ 482.06746 206.8
[M+HCOO]- 544.06840 231.9
[M+CH3COO]- 558.08405 245.5
[M+Na-2H]- 520.04487 215.1
[M]+ 499.06965 224.0
[M]- 499.07075 224.0
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.