CID 5276689

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

Structural Information

Molecular Formula
C14H18N4OS
SMILES
CC1CCCCN1CN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H18N4OS/c1-11-4-2-3-9-17(11)10-18-14(20)19-13(16-18)12-5-7-15-8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKey
LLWBHSQUHHEMLR-UHFFFAOYSA-N
Compound name
3-[(2-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]+ 291.127396 166.8
[M+Na]+ 313.109338 175.8
[M-H]- 289.112844 172.0
[M+NH4]+ 308.153943 178.1
[M+K]+ 329.083278 171.3
[M+H-H2O]+ 273.117380 157.1
[M+HCOO]- 335.118321 178.6
[M+CH3COO]- 349.133971 177.2
[M+Na-2H]- 311.094786 166.1
[M]+ 290.11957142 166.6
[M]- 290.12066858 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.