CID 491021

Chembl292019

Structural Information

Molecular Formula
C16H16N2OS
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CSCCO
InChI
InChI=1S/C16H16N2OS/c19-10-11-20-12-14-16(13-6-2-1-3-7-13)17-15-8-4-5-9-18(14)15/h1-9,19H,10-12H2
InChIKey
DYUWGFBTKBXQHC-UHFFFAOYSA-N
Compound name
2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 163.2
[M+Na]+ 307.08755 173.6
[M-H]- 283.09105 167.7
[M+NH4]+ 302.13215 179.6
[M+K]+ 323.06149 167.1
[M+H-H2O]+ 267.09559 155.5
[M+HCOO]- 329.09653 180.4
[M+CH3COO]- 343.11218 175.1
[M+Na-2H]- 305.07300 166.8
[M]+ 284.09778 167.9
[M]- 284.09888 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.