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 170.9
[M+Na]+ 341.05662 182.4
[M-H]- 317.06012 176.9
[M+NH4]+ 336.10122 187.9
[M+K]+ 357.03056 178.8
[M+H-H2O]+ 301.06466 164.7
[M+HCOO]- 363.06560 188.9
[M+CH3COO]- 377.08125 201.9
[M+Na-2H]- 339.04207 170.3
[M]+ 318.06685 180.1
[M]- 318.06795 180.1
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.