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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe