CID 5228

Skf-86002

Structural Information

Molecular Formula
C16H12FN3S
SMILES
C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
InChIKey
YOELZIQOLWZLQC-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

94
References

776
Patents

297.0736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08088 164.8
[M+Na]+ 320.06282 176.4
[M-H]- 296.06632 171.7
[M+NH4]+ 315.10742 181.6
[M+K]+ 336.03676 170.1
[M+H-H2O]+ 280.07086 155.8
[M+HCOO]- 342.07180 180.6
[M+CH3COO]- 356.08745 176.9
[M+Na-2H]- 318.04827 164.4
[M]+ 297.07305 165.9
[M]- 297.07415 165.9
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