CID 40272

Acetanilide, 2-indol-3-yl-

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

C1=CC=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H14N2O/c19-16(18-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2,(H,18,19)

InChIKey

WGJQECCUBXMMOE-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 250.11061 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]+	251.11789	157.0
[M+Na]+	273.09983	171.0
[M+NH4]+	268.14443	165.8
[M+K]+	289.07377	164.7
[M-H]-	249.10333	161.5
[M+Na-2H]-	271.08528	166.1
[M]+	250.11006	160.3
[M]-	250.11116	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe