CID 21560001

Pipamperone metabolite m-xiv

Structural Information

Molecular Formula
C20H29FN2O
SMILES
C1CCN(CC1)C2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H29FN2O/c21-18-8-6-17(7-9-18)20(24)5-4-12-22-15-10-19(11-16-22)23-13-2-1-3-14-23/h6-9,19H,1-5,10-16H2
InChIKey
XBKWOCRUAMBPOV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

332.22638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23366 183.9
[M+Na]+ 355.21560 184.6
[M-H]- 331.21910 186.6
[M+NH4]+ 350.26020 193.5
[M+K]+ 371.18954 179.4
[M+H-H2O]+ 315.22364 171.5
[M+HCOO]- 377.22458 194.3
[M+CH3COO]- 391.24023 210.3
[M+Na-2H]- 353.20105 181.6
[M]+ 332.22583 174.3
[M]- 332.22693 174.3
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

patents stripe