CID 4830

Pipamperone

Structural Information

Molecular Formula
C21H30FN3O2
SMILES
C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
InChI
InChI=1S/C21H30FN3O2/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/h6-9H,1-5,10-16H2,(H2,23,27)
InChIKey
AXKPFOAXAHJUAG-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

120
References

13258
Patents

375.2322 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23948 193.3
[M+Na]+ 398.22142 193.7
[M-H]- 374.22492 195.8
[M+NH4]+ 393.26602 202.4
[M+K]+ 414.19536 189.0
[M+H-H2O]+ 358.22946 181.3
[M+HCOO]- 420.23040 203.3
[M+CH3COO]- 434.24605 219.5
[M+Na-2H]- 396.20687 190.3
[M]+ 375.23165 183.1
[M]- 375.23275 183.1
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

patents stripe