CID 15955706

Schembl6814456

Structural Information

Molecular Formula
C20H16FN3OS
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C20H16FN3OS/c21-18-9-5-4-8-17(18)19(25)22-15-10-12-16(13-11-15)24-20(26)23-14-6-2-1-3-7-14/h1-13H,(H,22,25)(H2,23,24,26)
InChIKey
OXRVUFVSKGWCRE-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(phenylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

365.09982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10710 182.6
[M+Na]+ 388.08904 187.6
[M-H]- 364.09254 190.5
[M+NH4]+ 383.13364 193.9
[M+K]+ 404.06298 180.6
[M+H-H2O]+ 348.09708 172.2
[M+HCOO]- 410.09802 201.7
[M+CH3COO]- 424.11367 191.7
[M+Na-2H]- 386.07449 185.2
[M]+ 365.09927 179.8
[M]- 365.10037 179.8
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