CID 169501973

Pipamperone metabolite m-viii

Structural Information

Molecular Formula
C21H30FN3O
SMILES
C1CCN(CC1)C2(CCN(CC2)CC/C=C/C3=CC=C(C=C3)F)C(=O)N
InChI
InChI=1S/C21H30FN3O/c22-19-9-7-18(8-10-19)6-2-5-13-24-16-11-21(12-17-24,20(23)26)25-14-3-1-4-15-25/h2,6-10H,1,3-5,11-17H2,(H2,23,26)/b6-2+
InChIKey
LRNOXUOKJSCDLZ-QHHAFSJGSA-N
Compound name
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.2373 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24458 191.0
[M+Na]+ 382.22652 192.0
[M-H]- 358.23002 193.4
[M+NH4]+ 377.27112 201.0
[M+K]+ 398.20046 186.0
[M+H-H2O]+ 342.23456 178.9
[M+HCOO]- 404.23550 201.8
[M+CH3COO]- 418.25115 215.8
[M+Na-2H]- 380.21197 188.9
[M]+ 359.23675 179.8
[M]- 359.23785 179.8
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.