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 167.1
[M+Na]+ 326.06100 177.0
[M-H]- 302.06450 176.4
[M+NH4]+ 321.10560 186.3
[M+K]+ 342.03494 170.5
[M+H-H2O]+ 286.06904 160.4
[M+HCOO]- 348.06998 187.2
[M+CH3COO]- 362.08563 179.8
[M+Na-2H]- 324.04645 172.6
[M]+ 303.07123 170.6
[M]- 303.07233 170.6
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.