CID 176155

152121-47-6

Structural Information

Molecular Formula
C21H16FN3OS
SMILES
CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChIKey
CDMGBJANTYXAIV-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4179
References

2851
Patents

377.09982 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10710 186.8
[M+Na]+ 400.08904 196.9
[M-H]- 376.09254 194.2
[M+NH4]+ 395.13364 196.1
[M+K]+ 416.06298 188.0
[M+H-H2O]+ 360.09708 175.8
[M+HCOO]- 422.09802 200.4
[M+CH3COO]- 436.11367 196.3
[M+Na-2H]- 398.07449 185.5
[M]+ 377.09927 186.8
[M]- 377.10037 186.8
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