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]+ 392.23438 196.1
[M+Na]+ 414.21632 197.0
[M-H]- 390.21982 197.7
[M+NH4]+ 409.26092 204.2
[M+K]+ 430.19026 192.3
[M+H-H2O]+ 374.22436 184.8
[M+HCOO]- 436.22530 204.8
[M+CH3COO]- 450.24095 220.7
[M+Na-2H]- 412.20177 192.4
[M]+ 391.22655 186.1
[M]- 391.22765 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.