CID 9633513

2-(2-(2-chlorobenzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C17H16ClN3O2/c1-2-12-7-9-14(10-8-12)20-16(22)17(23)21-19-11-13-5-3-4-6-15(13)18/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
ASPJNDJYYQSCBM-YBFXNURJSA-N
Compound name
N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10038 177.5
[M+Na]+ 352.08232 183.8
[M-H]- 328.08582 185.4
[M+NH4]+ 347.12692 191.9
[M+K]+ 368.05626 178.6
[M+H-H2O]+ 312.09036 169.4
[M+HCOO]- 374.09130 200.0
[M+CH3COO]- 388.10695 215.3
[M+Na-2H]- 350.06777 181.1
[M]+ 329.09255 179.8
[M]- 329.09365 179.8
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.