CID 3045337

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

Structural Information

Molecular Formula
C17H10ClN3O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C17H10ClN3O2S/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
WXNOFEYBWZXKFW-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.01822 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02550 174.3
[M+Na]+ 378.00744 191.8
[M+NH4]+ 373.05204 184.1
[M+K]+ 393.98138 187.3
[M-H]- 354.01094 182.6
[M+Na-2H]- 375.99289 181.5
[M]+ 355.01767 180.2
[M]- 355.01877 180.2
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.