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 172.7
[M+Na]+ 326.09182 179.6
[M-H]- 302.09532 181.4
[M+NH4]+ 321.13642 188.9
[M+K]+ 342.06576 175.4
[M+H-H2O]+ 286.09986 165.1
[M+HCOO]- 348.10080 188.7
[M+CH3COO]- 362.11645 184.1
[M+Na-2H]- 324.07727 171.3
[M]+ 303.10205 174.3
[M]- 303.10315 174.3
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.