CID 125410

1-(n-diphenylacetamido)-2-butanol

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

CCC(CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO2/c1-2-16(20)13-19-18(21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,2,13H2,1H3,(H,19,21)

InChIKey

KRWSLCYLYQEVCL-UHFFFAOYSA-N

Compound name

N-(2-hydroxybutyl)-2,2-diphenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 283.15723 Da
Monoisotopic Mass: 3.1
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]+	284.164506	169.0
[M+Na]+	306.146448	171.8
[M-H]-	282.149954	173.3
[M+NH4]+	301.191053	182.9
[M+K]+	322.120388	168.1
[M+H-H2O]+	266.154490	160.8
[M+HCOO]-	328.155431	189.1
[M+CH3COO]-	342.171081	201.6
[M+Na-2H]-	304.131896	171.1
[M]+	283.15668142	167.0
[M]-	283.15777858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.