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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.067376	192.5
[M+Na]+	424.049318	206.5
[M-H]-	400.052824	202.0
[M+NH4]+	419.093923	206.5
[M+K]+	440.023258	200.5
[M+H-H2O]+	384.057360	184.5
[M+HCOO]-	446.058301	206.5
[M+CH3COO]-	460.073951	204.5
[M+Na-2H]-	422.034766	190.9
[M]+	401.05955142	205.1
[M]-	401.06064858	205.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.