CID 467133

1-(2,3-dimethylimidazo[2,1-b]thiazol-5-yl)-3-(2-furyl)propan-1-ol

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CC1=C(SC2=NC=C(N12)C(CCC3=CC=CO3)O)C
InChI
InChI=1S/C14H16N2O2S/c1-9-10(2)19-14-15-8-12(16(9)14)13(17)6-5-11-4-3-7-18-11/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKey
RZLXQBOTXLPEPP-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(furan-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 162.3
[M+Na]+ 299.08248 175.0
[M-H]- 275.08598 169.6
[M+NH4]+ 294.12708 182.0
[M+K]+ 315.05642 172.6
[M+H-H2O]+ 259.09052 157.7
[M+HCOO]- 321.09146 181.7
[M+CH3COO]- 335.10711 176.3
[M+Na-2H]- 297.06793 161.0
[M]+ 276.09271 171.7
[M]- 276.09381 171.7
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.