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]+ 265.01000 156.7
[M+Na]+ 286.99194 170.9
[M-H]- 262.99544 163.7
[M+NH4]+ 282.03654 178.3
[M+K]+ 302.96588 167.1
[M+H-H2O]+ 246.99998 152.9
[M+HCOO]- 309.00092 173.0
[M+CH3COO]- 323.01657 171.0
[M+Na-2H]- 284.97739 155.3
[M]+ 264.00217 165.0
[M]- 264.00327 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.