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]+ 332.14118 180.5
[M+Na]+ 354.12312 186.7
[M-H]- 330.12662 188.7
[M+NH4]+ 349.16772 194.0
[M+K]+ 370.09706 181.9
[M+H-H2O]+ 314.13116 172.0
[M+HCOO]- 376.13210 193.7
[M+CH3COO]- 390.14775 206.9
[M+Na-2H]- 352.10857 179.2
[M]+ 331.13335 181.1
[M]- 331.13445 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.