CID 3045343

6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C19H16ClN3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16ClN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-22-23-10-14(21-19(23)27-18)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKey
MKIRMHJBMDXFPP-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.0601 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06738 192.4
[M+Na]+ 424.04932 209.5
[M+NH4]+ 419.09392 200.4
[M+K]+ 440.02326 202.5
[M-H]- 400.05282 197.5
[M+Na-2H]- 422.03477 200.4
[M]+ 401.05955 197.3
[M]- 401.06065 197.3
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.