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]+ 275.04848 159.3
[M+Na]+ 297.03042 172.1
[M+NH4]+ 292.07502 167.0
[M+K]+ 313.00436 168.1
[M-H]- 273.03392 161.2
[M+Na-2H]- 295.01587 164.9
[M]+ 274.04065 162.0
[M]- 274.04175 162.0
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.