CID 16227107

2-[6-(thiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

Structural Information

Molecular Formula
C11H8N2O2S2
SMILES
C1=CSC(=C1)C2=CN3C(=CSC3=N2)CC(=O)O
InChI
InChI=1S/C11H8N2O2S2/c14-10(15)4-7-6-17-11-12-8(5-13(7)11)9-2-1-3-16-9/h1-3,5-6H,4H2,(H,14,15)
InChIKey
XWSSFCNLPSHTJE-UHFFFAOYSA-N
Compound name
2-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.00272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.009996 156.7
[M+Na]+ 286.991938 170.9
[M-H]- 262.995444 163.7
[M+NH4]+ 282.036543 178.3
[M+K]+ 302.965878 167.1
[M+H-H2O]+ 246.999980 152.9
[M+HCOO]- 309.000921 173.0
[M+CH3COO]- 323.016571 171.0
[M+Na-2H]- 284.977386 155.3
[M]+ 264.00217142 165.0
[M]- 264.00326858 165.0
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.