CID 15387

Melperone

Structural Information

Molecular Formula
C16H22FNO
SMILES
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
InChIKey
DKMFBWQBDIGMHM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

146
References

5254
Patents

263.16855 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17583 165.5
[M+Na]+ 286.15777 176.9
[M+NH4]+ 281.20237 173.0
[M+K]+ 302.13171 169.1
[M-H]- 262.16127 167.6
[M+Na-2H]- 284.14322 171.2
[M]+ 263.16800 167.5
[M]- 263.16910 167.5
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