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]+ 360.244576 191.0
[M+Na]+ 382.226518 192.0
[M-H]- 358.230024 193.4
[M+NH4]+ 377.271123 201.0
[M+K]+ 398.200458 186.0
[M+H-H2O]+ 342.234560 178.9
[M+HCOO]- 404.235501 201.8
[M+CH3COO]- 418.251151 215.8
[M+Na-2H]- 380.211966 188.9
[M]+ 359.23675142 179.8
[M]- 359.23784858 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

literature stripe

Patent stripe

No patent data available for this compound.