CID 13259023

88571-00-0

Structural Information

Molecular Formula
C16H16N2O2S
SMILES
CCC1=CC=C(S1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)O
InChI
InChI=1S/C16H16N2O2S/c1-3-11-5-6-13(21-11)16-12(8-15(19)20)18-9-10(2)4-7-14(18)17-16/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKey
OISWOMQWPOWMOY-UHFFFAOYSA-N
Compound name
2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09326 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10054 169.5
[M+Na]+ 323.08248 182.6
[M+NH4]+ 318.12708 177.3
[M+K]+ 339.05642 177.5
[M-H]- 299.08598 171.9
[M+Na-2H]- 321.06793 174.6
[M]+ 300.09271 172.5
[M]- 300.09381 172.5
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.