CID 5272219

Chembl183530

Structural Information

Molecular Formula
C23H22FN3OS
SMILES
CC(C)(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H22FN3OS/c1-23(2,16-8-4-3-5-9-16)27-22(29)26-18-14-12-17(13-15-18)25-21(28)19-10-6-7-11-20(19)24/h3-15H,1-2H3,(H,25,28)(H2,26,27,29)
InChIKey
UEGYOFFNGADXPX-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(2-phenylpropan-2-ylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

407.14676 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15404 195.8
[M+Na]+ 430.13598 199.7
[M-H]- 406.13948 203.3
[M+NH4]+ 425.18058 205.4
[M+K]+ 446.10992 192.7
[M+H-H2O]+ 390.14402 185.3
[M+HCOO]- 452.14496 212.2
[M+CH3COO]- 466.16061 228.9
[M+Na-2H]- 428.12143 197.9
[M]+ 407.14621 193.4
[M]- 407.14731 193.4
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

No patent data available for this compound.