CID 3627604

2',6'-diethyl-2-phenylacetanilide

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO/c1-3-15-11-8-12-16(4-2)18(15)19-17(20)13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,19,20)

InChIKey

HWHDNVXLYPKXRN-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.16232 Da
Monoisotopic Mass: 3.4
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]+	268.169596	164.6
[M+Na]+	290.151538	170.5
[M-H]-	266.155044	171.0
[M+NH4]+	285.196143	180.8
[M+K]+	306.125478	166.1
[M+H-H2O]+	250.159580	156.6
[M+HCOO]-	312.160521	188.1
[M+CH3COO]-	326.176171	202.6
[M+Na-2H]-	288.136986	168.2
[M]+	267.16177142	165.2
[M]-	267.16286858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.