CID 3045338

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

Structural Information

Molecular Formula
C17H10BrN3O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)Br
InChI
InChI=1S/C17H10BrN3O2S/c18-12-4-1-10(2-5-12)13-8-21-17(19-13)24-16(20-21)11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2
InChIKey
WKEVHVFFELGVHJ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.9677 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.97498 178.9
[M+Na]+ 421.95692 185.4
[M+NH4]+ 417.00152 184.4
[M+K]+ 437.93086 187.2
[M-H]- 397.96042 184.5
[M+Na-2H]- 419.94237 182.2
[M]+ 398.96715 181.0
[M]- 398.96825 181.0
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.