CID 40505228

891753-73-4

Structural Information

Molecular Formula
C15H14N2O4S
SMILES
COC1=CC(=C(C=C1)OC)C2=CN3C(=CSC3=N2)CC(=O)O
InChI
InChI=1S/C15H14N2O4S/c1-20-10-3-4-13(21-2)11(6-10)12-7-17-9(5-14(18)19)8-22-15(17)16-12/h3-4,6-8H,5H2,1-2H3,(H,18,19)
InChIKey
NRCFDHJYUQGPQQ-UHFFFAOYSA-N
Compound name
2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07468 171.9
[M+Na]+ 341.05662 184.1
[M+NH4]+ 336.10122 178.6
[M+K]+ 357.03056 180.4
[M-H]- 317.06012 173.3
[M+Na-2H]- 339.04207 176.3
[M]+ 318.06685 174.3
[M]- 318.06795 174.3
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.