CID 82488976

912770-31-1

Structural Information

Molecular Formula
C13H10N2O3S
SMILES
COC1=CC=CC(=C1)C2=CN3C(=CSC3=N2)C(=O)O
InChI
InChI=1S/C13H10N2O3S/c1-18-9-4-2-3-8(5-9)10-6-15-11(12(16)17)7-19-13(15)14-10/h2-7H,1H3,(H,16,17)
InChIKey
JTCQRXINYGWRSN-UHFFFAOYSA-N
Compound name
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0412 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.048476 159.1
[M+Na]+ 297.030418 171.1
[M-H]- 273.033924 165.1
[M+NH4]+ 292.075023 177.8
[M+K]+ 313.004358 167.2
[M+H-H2O]+ 257.038460 153.1
[M+HCOO]- 319.039401 177.7
[M+CH3COO]- 333.055051 172.5
[M+Na-2H]- 295.015866 159.9
[M]+ 274.04065142 165.9
[M]- 274.04174858 165.9
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.