CID 469039

Skf-86096

Structural Information

Molecular Formula
C16H12FN3OS
SMILES
C1CS(=O)C2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H12FN3OS/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-22(21)16(20)19-14/h1-8H,9-10H2
InChIKey
ZFGBVAXZSVZTFA-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

313.0685 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07578 169.0
[M+Na]+ 336.05772 181.4
[M-H]- 312.06122 176.3
[M+NH4]+ 331.10232 185.3
[M+K]+ 352.03166 175.1
[M+H-H2O]+ 296.06576 160.3
[M+HCOO]- 358.06670 185.1
[M+CH3COO]- 372.08235 181.2
[M+Na-2H]- 334.04317 168.0
[M]+ 313.06795 171.1
[M]- 313.06905 171.1
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