CID 511753

Chembl99416

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CCOC(=O)CSCC1=CN=C2N1C=CC(=C2)C
InChI
InChI=1S/C13H16N2O2S/c1-3-17-13(16)9-18-8-11-7-14-12-6-10(2)4-5-15(11)12/h4-7H,3,8-9H2,1-2H3
InChIKey
LAIWFDISSUAQMM-UHFFFAOYSA-N
Compound name
ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 159.0
[M+Na]+ 287.08248 169.4
[M-H]- 263.08598 161.7
[M+NH4]+ 282.12708 177.2
[M+K]+ 303.05642 165.7
[M+H-H2O]+ 247.09052 152.1
[M+HCOO]- 309.09146 176.4
[M+CH3COO]- 323.10711 195.1
[M+Na-2H]- 285.06793 161.0
[M]+ 264.09271 167.1
[M]- 264.09381 167.1
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.