CID 169501843

Pipamperone metabolite m-iv

Structural Information

Molecular Formula
C21H30FN3O3
SMILES
C1CN(CCC1O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
InChI
InChI=1S/C21H30FN3O3/c22-17-5-3-16(4-6-17)19(27)2-1-11-24-14-9-21(10-15-24,20(23)28)25-12-7-18(26)8-13-25/h3-6,18,26H,1-2,7-15H2,(H2,23,28)
InChIKey
DTVZJGQWOBOTLB-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(4-hydroxypiperidin-1-yl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.2271 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.234376 196.1
[M+Na]+ 414.216318 197.0
[M-H]- 390.219824 197.7
[M+NH4]+ 409.260923 204.2
[M+K]+ 430.190258 192.3
[M+H-H2O]+ 374.224360 184.8
[M+HCOO]- 436.225301 204.8
[M+CH3COO]- 450.240951 220.7
[M+Na-2H]- 412.201766 192.4
[M]+ 391.22655142 186.1
[M]- 391.22764858 186.1
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.