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]+ 318.125536 175.9
[M+Na]+ 340.107478 181.6
[M-H]- 316.110984 183.9
[M+NH4]+ 335.152083 189.7
[M+K]+ 356.081418 177.0
[M+H-H2O]+ 300.115520 167.3
[M+HCOO]- 362.116461 189.4
[M+CH3COO]- 376.132111 186.2
[M+Na-2H]- 338.092926 175.8
[M]+ 317.11771142 175.7
[M]- 317.11880858 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.