CID 108627

2-acetamidodibenzothiophene

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C32

InChI

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

InChIKey

FBHBFAPHAYSMFP-UHFFFAOYSA-N

Compound name

N-dibenzothiophen-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.05614 Da
Monoisotopic Mass: 3.6
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	150.2
[M+Na]+	264.04536	160.8
[M-H]-	240.04886	156.7
[M+NH4]+	259.08996	172.5
[M+K]+	280.01930	155.9
[M+H-H2O]+	224.05340	144.8
[M+HCOO]-	286.05434	170.4
[M+CH3COO]-	300.06999	164.1
[M+Na-2H]-	262.03081	155.8
[M]+	241.05559	154.5
[M]-	241.05669	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe