CID 3012967

2-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C14H12F3N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CN3C(=N2)SC(=N3)C(F)(F)F
InChI
InChI=1S/C14H12F3N3O3S/c1-21-9-4-7(5-10(22-2)11(9)23-3)8-6-20-13(18-8)24-12(19-20)14(15,16)17/h4-6H,1-3H3
InChIKey
ZYLWGUGZPADQHO-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.05515 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.06243 176.7
[M+Na]+ 382.04437 190.6
[M-H]- 358.04787 179.3
[M+NH4]+ 377.08897 191.8
[M+K]+ 398.01831 186.4
[M+H-H2O]+ 342.05241 167.6
[M+HCOO]- 404.05335 191.1
[M+CH3COO]- 418.06900 210.8
[M+Na-2H]- 380.02982 176.3
[M]+ 359.05460 184.4
[M]- 359.05570 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.