CID 5272230

Chembl185002

Structural Information

Molecular Formula
C26H22FN3OS
SMILES
CC(C1=CC2=CC=CC=C2C=C1)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C26H22FN3OS/c1-17(19-11-10-18-6-2-3-7-20(18)16-19)28-26(32)30-22-14-12-21(13-15-22)29-25(31)23-8-4-5-9-24(23)27/h2-17H,1H3,(H,29,31)(H2,28,30,32)
InChIKey
ARTHTLSULWZBQD-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(1-naphthalen-2-ylethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

443.14676 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15404 202.9
[M+Na]+ 466.13598 206.8
[M-H]- 442.13948 210.8
[M+NH4]+ 461.18058 211.7
[M+K]+ 482.10992 199.2
[M+H-H2O]+ 426.14402 191.9
[M+HCOO]- 488.14496 218.5
[M+CH3COO]- 502.16061 210.0
[M+Na-2H]- 464.12143 204.6
[M]+ 443.14621 200.8
[M]- 443.14731 200.8
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