CID 24212546

853312-27-3

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CC1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO2/c1-14-10-12-21(13-11-14)19(22)9-7-17-6-8-18(23-17)15-2-4-16(20)5-3-15/h2-6,8,14H,7,9-13H2,1H3
InChIKey
XJWPPRRJAUDSPE-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 180.5
[M+Na]+ 354.123118 186.7
[M-H]- 330.126624 188.7
[M+NH4]+ 349.167723 194.0
[M+K]+ 370.097058 181.9
[M+H-H2O]+ 314.131160 172.0
[M+HCOO]- 376.132101 193.7
[M+CH3COO]- 390.147751 206.9
[M+Na-2H]- 352.108566 179.2
[M]+ 331.13335142 181.1
[M]- 331.13444858 181.1
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.