CID 812370

4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CNCCC1C2=NC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2
InChIKey
FRSNRGPKFYZBJA-UHFFFAOYSA-N
Compound name
3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

229.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.2
[M+Na]+ 252.110718 157.0
[M-H]- 228.114224 155.5
[M+NH4]+ 247.155323 164.0
[M+K]+ 268.084658 153.5
[M+H-H2O]+ 212.118760 141.2
[M+HCOO]- 274.119701 167.5
[M+CH3COO]- 288.135351 161.8
[M+Na-2H]- 250.096166 155.6
[M]+ 229.12095142 145.9
[M]- 229.12204858 145.9
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

patents stripe