CID 10181300

Benzofuran-2--carboxylic acid-(4-{3-[1-(4-fluoro-phenyl)ethyl]-thioureido}-phenyl)-amide

Structural Information

Molecular Formula
C24H20FN3O2S
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C24H20FN3O2S/c1-15(16-6-8-18(25)9-7-16)26-24(31)28-20-12-10-19(11-13-20)27-23(29)22-14-17-4-2-3-5-21(17)30-22/h2-15H,1H3,(H,27,29)(H2,26,28,31)
InChIKey
JMPAOZYVRCKNRF-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

433.12604 Da
Monoisotopic Mass

5.1
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

No literature data available for this compound.

Patent stripe

patents stripe