CID 43978

Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H31ClN2O
SMILES
CC(=O)C1(CCN(CC1)CCCN2CCCCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H31ClN2O/c1-18(25)21(19-7-5-8-20(22)17-19)9-15-24(16-10-21)14-6-13-23-11-3-2-4-12-23/h5,7-8,17H,2-4,6,9-16H2,1H3
InChIKey
ZVUIEXVTQRVIRG-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ylpropyl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21978 191.0
[M+Na]+ 385.20172 203.4
[M+NH4]+ 380.24632 200.4
[M+K]+ 401.17566 192.3
[M-H]- 361.20522 196.0
[M+Na-2H]- 383.18717 198.9
[M]+ 362.21195 194.6
[M]- 362.21305 194.6
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.