CID 15956028

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

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
C1COCCC1CC2=C(N=C3N2N=C(S3)C4=CC=CO4)C5=CC=CC=C5
InChI
InChI=1S/C20H19N3O2S/c1-2-5-15(6-3-1)18-16(13-14-8-11-24-12-9-14)23-20(21-18)26-19(22-23)17-7-4-10-25-17/h1-7,10,14H,8-9,11-13H2
InChIKey
NZYOUTOXYJNISP-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-5-(oxan-4-ylmethyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.1198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 180.5
[M+Na]+ 388.10902 191.7
[M-H]- 364.11252 193.7
[M+NH4]+ 383.15362 193.6
[M+K]+ 404.08296 188.9
[M+H-H2O]+ 348.11706 174.0
[M+HCOO]- 410.11800 197.2
[M+CH3COO]- 424.13365 192.7
[M+Na-2H]- 386.09447 178.2
[M]+ 365.11925 186.1
[M]- 365.12035 186.1
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.