CID 45054501

2-(2-(3-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=C2)Cl
InChI
InChI=1S/C17H16ClN3O2/c1-2-12-6-8-15(9-7-12)20-16(22)17(23)21-19-11-13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
KTIIPURYDIKMJH-YBFXNURJSA-N
Compound name
N'-[(E)-(3-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 177.2
[M+Na]+ 352.08232 189.3
[M+NH4]+ 347.12692 184.1
[M+K]+ 368.05626 181.5
[M-H]- 328.08582 182.3
[M+Na-2H]- 350.06777 185.2
[M]+ 329.09255 180.4
[M]- 329.09365 180.4
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.