CID 9596650

2-(2-(2,3-dichlorobenzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H15Cl2N3O2
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2N3O2/c1-2-11-6-8-13(9-7-11)21-16(23)17(24)22-20-10-12-4-3-5-14(18)15(12)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKey
SXHKASLHFIMNQN-KEBDBYFISA-N
Compound name
N'-[(E)-(2,3-dichlorophenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.05414 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06142 184.6
[M+Na]+ 386.04336 192.1
[M-H]- 362.04686 192.0
[M+NH4]+ 381.08796 198.4
[M+K]+ 402.01730 185.8
[M+H-H2O]+ 346.05140 177.6
[M+HCOO]- 408.05234 201.9
[M+CH3COO]- 422.06799 220.5
[M+Na-2H]- 384.02881 186.6
[M]+ 363.05359 188.7
[M]- 363.05469 188.7
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.