CID 15956029

6-(4-bromophenyl)-2-(2-furyl)-5-(tetrahydropyran-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C20H18BrN3O2S
SMILES
C1COCCC1CC2=C(N=C3N2N=C(S3)C4=CC=CO4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C20H18BrN3O2S/c21-15-5-3-14(4-6-15)18-16(12-13-7-10-25-11-8-13)24-20(22-18)27-19(23-24)17-2-1-9-26-17/h1-6,9,13H,7-8,10-12H2
InChIKey
VTOCKDKDIKOMGY-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-(furan-2-yl)-5-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.0303 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.03758 188.4
[M+Na]+ 466.01952 203.1
[M-H]- 442.02302 204.1
[M+NH4]+ 461.06412 203.1
[M+K]+ 481.99346 194.3
[M+H-H2O]+ 426.02756 190.0
[M+HCOO]- 488.02850 203.6
[M+CH3COO]- 502.04415 202.4
[M+Na-2H]- 464.00497 187.4
[M]+ 443.02975 212.6
[M]- 443.03085 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.