CID 3045321

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

Structural Information

Molecular Formula
C20H18BrN3O3S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)Br)OC
InChI
InChI=1S/C20H18BrN3O3S/c1-4-27-18-16(25-2)9-13(10-17(18)26-3)19-23-24-11-15(22-20(24)28-19)12-5-7-14(21)8-6-12/h5-11H,4H2,1-3H3
InChIKey
XHSQZAOSGXXMFJ-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.02524 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.03252 191.8
[M+Na]+ 482.01446 207.4
[M-H]- 458.01796 203.6
[M+NH4]+ 477.05906 206.9
[M+K]+ 497.98840 195.7
[M+H-H2O]+ 442.02250 191.0
[M+HCOO]- 504.02344 208.5
[M+CH3COO]- 518.03909 205.5
[M+Na-2H]- 479.99991 192.4
[M]+ 459.02469 220.7
[M]- 459.02579 220.7
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.