CID 15955718

Schembl6814956

Structural Information

Molecular Formula
C24H20FN3O2S
SMILES
C1=CC=C2C(=C1)C=C(O2)CCNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C24H20FN3O2S/c25-21-7-3-2-6-20(21)23(29)27-17-9-11-18(12-10-17)28-24(31)26-14-13-19-15-16-5-1-4-8-22(16)30-19/h1-12,15H,13-14H2,(H,27,29)(H2,26,28,31)
InChIKey
FBOCPBSEVJRVHE-UHFFFAOYSA-N
Compound name
N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

433.12604 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13332 201.7
[M+Na]+ 456.11526 208.2
[M-H]- 432.11876 211.8
[M+NH4]+ 451.15986 212.2
[M+K]+ 472.08920 202.1
[M+H-H2O]+ 416.12330 191.9
[M+HCOO]- 478.12424 220.9
[M+CH3COO]- 492.13989 210.8
[M+Na-2H]- 454.10071 204.0
[M]+ 433.12549 204.0
[M]- 433.12659 204.0
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