CID 4249

Moperone

Structural Information

Molecular Formula
C22H26FNO2
SMILES
CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
InChIKey
AGAHNABIDCTLHW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

1951
Patents

355.19476 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.202036 187.7
[M+Na]+ 378.183978 192.2
[M-H]- 354.187484 192.2
[M+NH4]+ 373.228583 199.7
[M+K]+ 394.157918 186.3
[M+H-H2O]+ 338.192020 176.9
[M+HCOO]- 400.192961 201.9
[M+CH3COO]- 414.208611 212.7
[M+Na-2H]- 376.169426 187.4
[M]+ 355.19421142 183.0
[M]- 355.19530858 183.0
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