CID 5276685

3-[(4-benzyl-1-piperidyl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C20H22N4OS
SMILES
C1CN(CCC1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=NC=C4
InChI
InChI=1S/C20H22N4OS/c26-20-24(22-19(25-20)18-6-10-21-11-7-18)15-23-12-8-17(9-13-23)14-16-4-2-1-3-5-16/h1-7,10-11,17H,8-9,12-15H2
InChIKey
RCHMEWSVLABQQK-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.15143 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 186.6
[M+Na]+ 389.14065 194.4
[M-H]- 365.14415 194.4
[M+NH4]+ 384.18525 194.1
[M+K]+ 405.11459 187.9
[M+H-H2O]+ 349.14869 175.3
[M+HCOO]- 411.14963 197.8
[M+CH3COO]- 425.16528 195.4
[M+Na-2H]- 387.12610 185.3
[M]+ 366.15088 185.7
[M]- 366.15198 185.7
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.