CID 45055011

2-(((2-(2,3-dichlorobenzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C22H16Cl2N4O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C22H16Cl2N4O3/c23-17-11-6-7-14(19(17)24)13-25-28-22(31)21(30)27-18-12-5-4-10-16(18)20(29)26-15-8-2-1-3-9-15/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13+
InChIKey
HRTCFZJNUWMWSX-DHRITJCHSA-N
Compound name
N'-[(E)-(2,3-dichlorophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.05994 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.06722 206.4
[M+Na]+ 477.04916 211.9
[M-H]- 453.05266 216.4
[M+NH4]+ 472.09376 215.4
[M+K]+ 493.02310 205.6
[M+H-H2O]+ 437.05720 197.4
[M+HCOO]- 499.05814 223.8
[M+CH3COO]- 513.07379 238.0
[M+Na-2H]- 475.03461 208.2
[M]+ 454.05939 209.7
[M]- 454.06049 209.7
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.