CID 3045326

Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(p-methoxyphenyl)-

Structural Information

Molecular Formula
C21H21N3O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)OC)OC
InChI
InChI=1S/C21H21N3O4S/c1-5-28-19-17(26-3)10-14(11-18(19)27-4)20-23-24-12-16(22-21(24)29-20)13-6-8-15(25-2)9-7-13/h6-12H,5H2,1-4H3
InChIKey
AWTGUCVAAPSZBZ-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12527 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13255 197.0
[M+Na]+ 434.11449 209.2
[M-H]- 410.11799 206.4
[M+NH4]+ 429.15909 209.6
[M+K]+ 450.08843 204.6
[M+H-H2O]+ 394.12253 188.5
[M+HCOO]- 456.12347 215.3
[M+CH3COO]- 470.13912 208.5
[M+Na-2H]- 432.09994 195.3
[M]+ 411.12472 209.7
[M]- 411.12582 209.7
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.