CID 9608430

N-(4-methylphenyl)-2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)acetamide

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂

SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O2/c1-14-9-11-16(12-10-14)20-17(22)18(23)21-19-13-5-8-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22)(H,21,23)/b8-5+,19-13+

InChIKey

MDKSAFSQHAJYIC-ULKOKDFMSA-N

Compound name

N-(4-methylphenyl)-N'-[(E)-[(E)-3-phenylprop-2-enylidene]amino]oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.13208 Da
Monoisotopic Mass: 3.2
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]+	308.139356	173.1
[M+Na]+	330.121298	177.5
[M-H]-	306.124804	180.6
[M+NH4]+	325.165903	187.2
[M+K]+	346.095238	173.4
[M+H-H2O]+	290.129340	163.8
[M+HCOO]-	352.130281	199.9
[M+CH3COO]-	366.145931	212.0
[M+Na-2H]-	328.106746	177.5
[M]+	307.13153142	172.1
[M]-	307.13262858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.