CID 116464

3-acetylaminodibenzothiophene

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3S2

InChI

InChI=1S/C14H11NOS/c1-9(16)15-10-6-7-12-11-4-2-3-5-13(11)17-14(12)8-10/h2-8H,1H3,(H,15,16)

InChIKey

KPOVNLZGDMDGIK-UHFFFAOYSA-N

Compound name

N-dibenzothiophen-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.05614 Da
Monoisotopic Mass: 3.9
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]+	242.06342	150.1
[M+Na]+	264.04536	164.1
[M+NH4]+	259.08996	160.8
[M+K]+	280.01930	155.8
[M-H]-	240.04886	154.5
[M+Na-2H]-	262.03081	157.3
[M]+	241.05559	153.9
[M]-	241.05669	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe