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]+ 304.109876 172.7
[M+Na]+ 326.091818 179.6
[M-H]- 302.095324 181.4
[M+NH4]+ 321.136423 188.9
[M+K]+ 342.065758 175.4
[M+H-H2O]+ 286.099860 165.1
[M+HCOO]- 348.100801 188.7
[M+CH3COO]- 362.116451 184.1
[M+Na-2H]- 324.077266 171.3
[M]+ 303.10205142 174.3
[M]- 303.10314858 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.