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]+ 301.100536 169.4
[M+Na]+ 323.082478 181.1
[M-H]- 299.085984 175.2
[M+NH4]+ 318.127083 187.4
[M+K]+ 339.056418 176.0
[M+H-H2O]+ 283.090520 163.3
[M+HCOO]- 345.091461 186.7
[M+CH3COO]- 359.107111 182.0
[M+Na-2H]- 321.067926 167.8
[M]+ 300.09271142 176.2
[M]- 300.09380858 176.2
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.