CID 23611

2-ethyl-2-phenylmalonamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N

InChI

InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)

InChIKey

JFZHPFOXAAIUMB-UHFFFAOYSA-N

Compound name

2-ethyl-2-phenylpropanediamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 68
References: 2682
Patents: 206.10553 Da
Monoisotopic Mass: 0.1
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]+	207.112806	146.2
[M+Na]+	229.094748	151.4
[M-H]-	205.098254	148.6
[M+NH4]+	224.139353	163.6
[M+K]+	245.068688	149.5
[M+H-H2O]+	189.102790	139.9
[M+HCOO]-	251.103731	168.1
[M+CH3COO]-	265.119381	190.3
[M+Na-2H]-	227.080196	150.0
[M]+	206.10498142	142.9
[M]-	206.10607858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe