CID 5272218

Chembl183840

Structural Information

Molecular Formula
C22H20FN3OS
SMILES
CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H20FN3OS/c1-15(16-7-3-2-4-8-16)24-22(28)26-18-13-11-17(12-14-18)25-21(27)19-9-5-6-10-20(19)23/h2-15H,1H3,(H,25,27)(H2,24,26,28)
InChIKey
CJHCDXCWGMOBKJ-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(1-phenylethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

393.1311 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13838 191.6
[M+Na]+ 416.12032 195.3
[M-H]- 392.12382 199.1
[M+NH4]+ 411.16492 201.6
[M+K]+ 432.09426 188.5
[M+H-H2O]+ 376.12836 180.9
[M+HCOO]- 438.12930 208.9
[M+CH3COO]- 452.14495 226.5
[M+Na-2H]- 414.10577 192.2
[M]+ 393.13055 188.8
[M]- 393.13165 188.8
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