CID 15956032

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

Structural Information

Molecular Formula
C20H20N4OS
SMILES
C1CCN(CC1)CC2=C(N=C3N2N=C(S3)C4=CC=CO4)C5=CC=CC=C5
InChI
InChI=1S/C20H20N4OS/c1-3-8-15(9-4-1)18-16(14-23-11-5-2-6-12-23)24-20(21-18)26-19(22-24)17-10-7-13-25-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKey
KSXTXRHFKKWOPY-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-6-phenyl-5-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14305 181.3
[M+Na]+ 387.12499 192.5
[M-H]- 363.12849 192.7
[M+NH4]+ 382.16959 194.4
[M+K]+ 403.09893 187.9
[M+H-H2O]+ 347.13303 173.3
[M+HCOO]- 409.13397 197.4
[M+CH3COO]- 423.14962 192.9
[M+Na-2H]- 385.11044 178.4
[M]+ 364.13522 185.6
[M]- 364.13632 185.6
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.