CID 5272229

Chembl434710

Structural Information

Molecular Formula
C24H20FN3OS2
SMILES
CC(C1=CSC2=CC=CC=C21)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C24H20FN3OS2/c1-15(20-14-31-22-9-5-3-6-18(20)22)26-24(30)28-17-12-10-16(11-13-17)27-23(29)19-7-2-4-8-21(19)25/h2-15H,1H3,(H,27,29)(H2,26,28,30)
InChIKey
JJIUHMUFQAHWMA-UHFFFAOYSA-N
Compound name
N-[4-[1-(1-benzothiophen-3-yl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.10318 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11046 201.1
[M+Na]+ 472.09240 207.3
[M-H]- 448.09590 209.6
[M+NH4]+ 467.13700 212.4
[M+K]+ 488.06634 199.0
[M+H-H2O]+ 432.10044 192.2
[M+HCOO]- 494.10138 214.3
[M+CH3COO]- 508.11703 209.2
[M+Na-2H]- 470.07785 201.8
[M]+ 449.10263 202.2
[M]- 449.10373 202.2
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

No patent data available for this compound.