CID 9688708

2-(2-(2-(allyloxy)benzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₃

SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2OCC=C

InChI

InChI=1S/C20H21N3O3/c1-3-13-26-18-8-6-5-7-16(18)14-21-23-20(25)19(24)22-17-11-9-15(4-2)10-12-17/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)(H,23,25)/b21-14+

InChIKey

JRGHDQMJRXXSLA-KGENOOAVSA-N

Compound name

N-(4-ethylphenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.1583 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.165576	184.8
[M+Na]+	374.147518	188.9
[M-H]-	350.151024	192.2
[M+NH4]+	369.192123	197.1
[M+K]+	390.121458	185.1
[M+H-H2O]+	334.155560	175.0
[M+HCOO]-	396.156501	211.1
[M+CH3COO]-	410.172151	222.1
[M+Na-2H]-	372.132966	187.5
[M]+	351.15775142	186.3
[M]-	351.15884858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.