CID 15955674

Schembl6816471

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

409.12604 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13332 193.7
[M+Na]+ 432.11526 196.6
[M-H]- 408.11876 199.8
[M+NH4]+ 427.15986 202.2
[M+K]+ 448.08920 189.8
[M+H-H2O]+ 392.12330 183.2
[M+HCOO]- 454.12424 209.7
[M+CH3COO]- 468.13989 226.5
[M+Na-2H]- 430.10071 194.3
[M]+ 409.12549 190.5
[M]- 409.12659 190.5
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