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

18
Patents

241.05614 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.063416 150.2
[M+Na]+ 264.045358 160.8
[M-H]- 240.048864 156.7
[M+NH4]+ 259.089963 172.5
[M+K]+ 280.019298 155.9
[M+H-H2O]+ 224.053400 144.8
[M+HCOO]- 286.054341 170.4
[M+CH3COO]- 300.069991 164.1
[M+Na-2H]- 262.030806 155.8
[M]+ 241.05559142 154.5
[M]- 241.05668858 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe