CID 11971436

Af 462

Structural Information

Molecular Formula
C16H21N3O
SMILES
C1CCN(CC1)CCCC2=NC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O/c1-3-8-14(9-4-1)16-17-15(20-18-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey
JNXVNMRRXAAEDO-UHFFFAOYSA-N
Compound name
3-phenyl-5-(3-piperidin-1-ylpropyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.7
[M+Na]+ 294.15768 179.1
[M+NH4]+ 289.20228 173.5
[M+K]+ 310.13162 173.1
[M-H]- 270.16118 171.3
[M+Na-2H]- 292.14313 173.8
[M]+ 271.16791 169.1
[M]- 271.16901 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.