CID 24212545

853312-21-7

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
C1CCN(C1)C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H18ClNO2/c18-14-5-3-13(4-6-14)16-9-7-15(21-16)8-10-17(20)19-11-1-2-12-19/h3-7,9H,1-2,8,10-12H2
InChIKey
AIPQSBIIQRAELO-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.8
[M+Na]+ 326.09182 182.7
[M+NH4]+ 321.13642 178.2
[M+K]+ 342.06576 178.7
[M-H]- 302.09532 175.5
[M+Na-2H]- 324.07727 176.6
[M]+ 303.10205 173.5
[M]- 303.10315 173.5
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.