CID 30822

Fenpipalone

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN1CC(OC1=O)CCN2CCC(=CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N2O2/c1-18-13-16(21-17(18)20)9-12-19-10-7-15(8-11-19)14-5-3-2-4-6-14/h2-7,16H,8-13H2,1H3
InChIKey
YUORBURTMIUPMW-UHFFFAOYSA-N
Compound name
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3044
Patents

286.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.5
[M+Na]+ 309.15734 182.3
[M+NH4]+ 304.20194 177.2
[M+K]+ 325.13128 176.9
[M-H]- 285.16084 175.2
[M+Na-2H]- 307.14279 176.0
[M]+ 286.16757 172.9
[M]- 286.16867 172.9
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