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 178.3
[M+Na]+ 378.00744 193.2
[M-H]- 354.01094 190.0
[M+NH4]+ 373.05204 194.2
[M+K]+ 393.98138 189.6
[M+H-H2O]+ 338.01548 173.0
[M+HCOO]- 400.01642 190.9
[M+CH3COO]- 414.03207 191.6
[M+Na-2H]- 375.99289 177.5
[M]+ 355.01767 188.1
[M]- 355.01877 188.1
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.