CID 2063558

357268-31-6

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2/c1-12-7-9-14(10-8-12)18-16(20)15(19)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)(H,18,20)

InChIKey

GBUXNROKSSRFKQ-UHFFFAOYSA-N

Compound name

N-benzyl-N'-(4-methylphenyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 268.1212 Da
Monoisotopic Mass: 2.7
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]+	269.128476	162.3
[M+Na]+	291.110418	167.3
[M-H]-	267.113924	168.8
[M+NH4]+	286.155023	177.7
[M+K]+	307.084358	163.9
[M+H-H2O]+	251.118460	154.0
[M+HCOO]-	313.119401	186.9
[M+CH3COO]-	327.135051	201.3
[M+Na-2H]-	289.095866	166.9
[M]+	268.12065142	161.0
[M]-	268.12174858	161.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.