CID 169501837

Pipamperone metabolite m-iii

Structural Information

Molecular Formula
C21H28FN3O2
SMILES
C1CN(CC=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
InChI
InChI=1S/C21H28FN3O2/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/h1-2,6-9H,3-5,10-16H2,(H2,23,27)
InChIKey
DHSLAGBUNPNZEE-UHFFFAOYSA-N
Compound name
4-(3,6-dihydro-2H-pyridin-1-yl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

373.21655 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22383 192.0
[M+Na]+ 396.20577 193.5
[M-H]- 372.20927 195.0
[M+NH4]+ 391.25037 201.3
[M+K]+ 412.17971 188.6
[M+H-H2O]+ 356.21381 180.0
[M+HCOO]- 418.21475 203.5
[M+CH3COO]- 432.23040 219.1
[M+Na-2H]- 394.19122 190.1
[M]+ 373.21600 183.2
[M]- 373.21710 183.2
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.