CID 347854

N-ethyl-n-phenylpropanamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-3-11(13)12(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

IEEFRDKEFOLZQD-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 56
Patents: 177.11537 Da
Monoisotopic Mass: 2.1
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]+	178.122646	139.8
[M+Na]+	200.104588	145.8
[M-H]-	176.108094	144.6
[M+NH4]+	195.149193	160.3
[M+K]+	216.078528	145.2
[M+H-H2O]+	160.112630	133.4
[M+HCOO]-	222.113571	164.7
[M+CH3COO]-	236.129221	187.0
[M+Na-2H]-	198.090036	145.3
[M]+	177.11482142	141.0
[M]-	177.11591858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe