CID 5272231

Chembl182934

Structural Information

Molecular Formula
C24H21FN4OS
SMILES
CC(C1=CNC2=CC=CC=C21)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C24H21FN4OS/c1-15(20-14-26-22-9-5-3-6-18(20)22)27-24(31)29-17-12-10-16(11-13-17)28-23(30)19-7-2-4-8-21(19)25/h2-15,26H,1H3,(H,28,30)(H2,27,29,31)
InChIKey
LYLWVMNKDMNQHK-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.142 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14928 198.7
[M+Na]+ 455.13122 204.3
[M-H]- 431.13472 205.6
[M+NH4]+ 450.17582 208.4
[M+K]+ 471.10516 196.2
[M+H-H2O]+ 415.13926 188.9
[M+HCOO]- 477.14020 214.8
[M+CH3COO]- 491.15585 206.5
[M+Na-2H]- 453.11667 199.7
[M]+ 432.14145 197.4
[M]- 432.14255 197.4
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

No patent data available for this compound.