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 190.8
[M+Na]+ 385.20172 192.9
[M-H]- 361.20522 194.9
[M+NH4]+ 380.24632 202.3
[M+K]+ 401.17566 186.7
[M+H-H2O]+ 345.20976 179.9
[M+HCOO]- 407.21070 197.5
[M+CH3COO]- 421.22635 213.7
[M+Na-2H]- 383.18717 189.2
[M]+ 362.21195 185.2
[M]- 362.21305 185.2
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.