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

literature stripe

Patent stripe

patents stripe