CID 71101

Amiperone

Structural Information

Molecular Formula
C24H28ClFN2O2
SMILES
CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3
InChIKey
WMVSIGOLIQMRHF-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

430.18234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.18962 203.2
[M+Na]+ 453.17156 215.2
[M+NH4]+ 448.21616 210.8
[M+K]+ 469.14550 205.2
[M-H]- 429.17506 207.5
[M+Na-2H]- 451.15701 211.5
[M]+ 430.18179 206.4
[M]- 430.18289 206.4
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