CID 154699548

Ns00117308

Structural Information

Molecular Formula

C₁₅H₁₃FN₄OS

SMILES

CS(=O)C1=NC(=C(N1)C2=CC=C(C=C2)F)C3=CC(=NC=C3)N

InChI

InChI=1S/C15H13FN4OS/c1-22(21)15-19-13(9-2-4-11(16)5-3-9)14(20-15)10-6-7-18-12(17)8-10/h2-8H,1H3,(H2,17,18)(H,19,20)

InChIKey

DEVKGTPEZICAAL-UHFFFAOYSA-N

Compound name

4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 316.0794 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.086676	169.3
[M+Na]+	339.068618	179.8
[M-H]-	315.072124	173.6
[M+NH4]+	334.113223	181.2
[M+K]+	355.042558	172.3
[M+H-H2O]+	299.076660	159.7
[M+HCOO]-	361.077601	183.9
[M+CH3COO]-	375.093251	179.8
[M+Na-2H]-	337.054066	168.5
[M]+	316.07885142	168.3
[M]-	316.07994858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.