CID 5272228

Chembl184776

Structural Information

Molecular Formula
C24H20FN3O2S
SMILES
CC(C1=CC2=CC=CC=C2O1)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C24H20FN3O2S/c1-15(22-14-16-6-2-5-9-21(16)30-22)26-24(31)28-18-12-10-17(11-13-18)27-23(29)19-7-3-4-8-20(19)25/h2-15H,1H3,(H,27,29)(H2,26,28,31)
InChIKey
NNWURAXVOOSEGP-UHFFFAOYSA-N
Compound name
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

433.12604 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13332 202.6
[M+Na]+ 456.11526 208.7
[M-H]- 432.11876 212.8
[M+NH4]+ 451.15986 212.9
[M+K]+ 472.08920 203.2
[M+H-H2O]+ 416.12330 193.0
[M+HCOO]- 478.12424 220.7
[M+CH3COO]- 492.13989 211.5
[M+Na-2H]- 454.10071 203.9
[M]+ 433.12549 204.3
[M]- 433.12659 204.3
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