CID 3068786

Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-phenyl-

Structural Information

Molecular Formula
C17H11N3O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=CC=C5
InChI
InChI=1S/C17H11N3O2S/c1-2-4-11(5-3-1)13-9-20-17(18-13)23-16(19-20)12-6-7-14-15(8-12)22-10-21-14/h1-9H,10H2
InChIKey
MUDBDPYENCLKRP-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0572 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06448 166.5
[M+Na]+ 344.04642 182.9
[M+NH4]+ 339.09102 176.1
[M+K]+ 360.02036 179.3
[M-H]- 320.04992 174.7
[M+Na-2H]- 342.03187 174.0
[M]+ 321.05665 171.9
[M]- 321.05775 171.9
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.