CID 5276687

1,3,4-oxadiazole-2(3h)-thione, 3-[(4-methyl-1-piperidinyl)methyl]-5-(4-pyridinyl)-

Structural Information

Molecular Formula
C14H18N4OS
SMILES
CC1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H18N4OS/c1-11-4-8-17(9-5-11)10-18-14(20)19-13(16-18)12-2-6-15-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKey
SAGLKEPNLXPWEH-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperidin-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

290.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12740 166.8
[M+Na]+ 313.10934 175.8
[M-H]- 289.11284 172.0
[M+NH4]+ 308.15394 178.1
[M+K]+ 329.08328 171.3
[M+H-H2O]+ 273.11738 157.1
[M+HCOO]- 335.11832 178.6
[M+CH3COO]- 349.13397 177.2
[M+Na-2H]- 311.09479 166.1
[M]+ 290.11957 166.6
[M]- 290.12067 166.6
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.