CID 16671832

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
C1CC(CNC1)C2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H14ClN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2
InChIKey
ROGHUOMPUVCGAA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.089826 159.0
[M+Na]+ 286.071768 166.3
[M-H]- 262.075274 163.2
[M+NH4]+ 281.116373 171.5
[M+K]+ 302.045708 161.2
[M+H-H2O]+ 246.079810 149.1
[M+HCOO]- 308.080751 170.4
[M+CH3COO]- 322.096401 169.3
[M+Na-2H]- 284.057216 161.8
[M]+ 263.08200142 155.9
[M]- 263.08309858 155.9
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.