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

literature stripe

Patent stripe

patents stripe