CID 22587452

853312-23-9

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
C1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClNO2/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-8,10H,1-3,9,11-13H2
InChIKey
JOFAULBPCDBLLL-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11826 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12554 175.9
[M+Na]+ 340.10748 181.6
[M-H]- 316.11098 183.9
[M+NH4]+ 335.15208 189.7
[M+K]+ 356.08142 177.0
[M+H-H2O]+ 300.11552 167.3
[M+HCOO]- 362.11646 189.4
[M+CH3COO]- 376.13211 186.2
[M+Na-2H]- 338.09293 175.8
[M]+ 317.11771 175.7
[M]- 317.11881 175.7
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

No patent data available for this compound.