CID 469040

Skf-104343

Structural Information

Molecular Formula
C16H12FN3O2S
SMILES
C1CS(=O)(=O)C2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H12FN3O2S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-23(21,22)16(20)19-14/h1-8H,9-10H2
InChIKey
ALNDPDZRCNSIEY-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

329.06342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07070 171.8
[M+Na]+ 352.05264 185.1
[M-H]- 328.05614 179.4
[M+NH4]+ 347.09724 189.3
[M+K]+ 368.02658 179.0
[M+H-H2O]+ 312.06068 163.1
[M+HCOO]- 374.06162 188.2
[M+CH3COO]- 388.07727 184.1
[M+Na-2H]- 350.03809 172.2
[M]+ 329.06287 174.9
[M]- 329.06397 174.9
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

No patent data available for this compound.