CID 169501855

Pipamperone metabolite m-ii

Structural Information

Molecular Formula
C21H32FN3O2
SMILES
C1CCN(CC1)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)O)C(=O)N
InChI
InChI=1S/C21H32FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9,19,26H,1-5,10-16H2,(H2,23,27)
InChIKey
FKFWAMUREQWAEQ-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.24786 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25514 194.2
[M+Na]+ 400.23708 194.0
[M-H]- 376.24058 195.4
[M+NH4]+ 395.28168 202.7
[M+K]+ 416.21102 189.1
[M+H-H2O]+ 360.24512 182.7
[M+HCOO]- 422.24606 202.6
[M+CH3COO]- 436.26171 217.9
[M+Na-2H]- 398.22253 191.0
[M]+ 377.24731 183.0
[M]- 377.24841 183.0
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.