CID 5006462

N-(3-dibenzothienyl)benzamide

Structural Information

Molecular Formula
C19H13NOS
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4S3
InChI
InChI=1S/C19H13NOS/c21-19(13-6-2-1-3-7-13)20-14-10-11-16-15-8-4-5-9-17(15)22-18(16)12-14/h1-12H,(H,20,21)
InChIKey
KXCVINUNEBNWKN-UHFFFAOYSA-N
Compound name
N-dibenzothiophen-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07178 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07906 166.2
[M+Na]+ 326.06100 182.2
[M+NH4]+ 321.10560 177.2
[M+K]+ 342.03494 172.2
[M-H]- 302.06450 173.4
[M+Na-2H]- 324.04645 176.3
[M]+ 303.07123 171.3
[M]- 303.07233 171.3
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

No patent data available for this compound.