CID 15955565

Schembl6815644

Structural Information

Molecular Formula
C22H20FN3O2S
SMILES
C1=CC=C(C=C1)OCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H20FN3O2S/c23-20-9-5-4-8-19(20)21(27)25-16-10-12-17(13-11-16)26-22(29)24-14-15-28-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,27)(H2,24,26,29)
InChIKey
FAHMPNJIBZHWGD-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-(2-phenoxyethylcarbamothioylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

409.12604 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13332 194.2
[M+Na]+ 432.11526 197.9
[M-H]- 408.11876 201.5
[M+NH4]+ 427.15986 203.5
[M+K]+ 448.08920 191.2
[M+H-H2O]+ 392.12330 183.0
[M+HCOO]- 454.12424 212.7
[M+CH3COO]- 468.13989 227.7
[M+Na-2H]- 430.10071 196.0
[M]+ 409.12549 193.2
[M]- 409.12659 193.2
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