CID 510903

2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

Structural Information

Molecular Formula
C10H10Cl2N2OS
SMILES
C1=CC2=NC(=C(N2C=C1Cl)CSCCO)Cl
InChI
InChI=1S/C10H10Cl2N2OS/c11-7-1-2-9-13-10(12)8(14(9)5-7)6-16-4-3-15/h1-2,5,15H,3-4,6H2
InChIKey
KIPGTQNPIAZUPG-UHFFFAOYSA-N
Compound name
2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.98907 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99635 153.8
[M+Na]+ 298.97829 166.7
[M-H]- 274.98179 155.0
[M+NH4]+ 294.02289 172.3
[M+K]+ 314.95223 159.9
[M+H-H2O]+ 258.98633 149.0
[M+HCOO]- 320.98727 161.4
[M+CH3COO]- 335.00292 166.2
[M+Na-2H]- 296.96374 156.0
[M]+ 275.98852 161.7
[M]- 275.98962 161.7
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.