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
1
Annotation Hits

0
References

0
Patents

316.0794 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08668 169.3
[M+Na]+ 339.06862 179.8
[M-H]- 315.07212 173.6
[M+NH4]+ 334.11322 181.2
[M+K]+ 355.04256 172.3
[M+H-H2O]+ 299.07666 159.7
[M+HCOO]- 361.07760 183.9
[M+CH3COO]- 375.09325 179.8
[M+Na-2H]- 337.05407 168.5
[M]+ 316.07885 168.3
[M]- 316.07995 168.3
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

No patent data available for this compound.