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]+ 319.074676 170.9
[M+Na]+ 341.056618 182.4
[M-H]- 317.060124 176.9
[M+NH4]+ 336.101223 187.9
[M+K]+ 357.030558 178.8
[M+H-H2O]+ 301.064660 164.7
[M+HCOO]- 363.065601 188.9
[M+CH3COO]- 377.081251 201.9
[M+Na-2H]- 339.042066 170.3
[M]+ 318.06685142 180.1
[M]- 318.06794858 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.