CID 3046531

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

Structural Information

Molecular Formula
C22H33ClN2O
SMILES
CCC(=O)C1(CCN(CC1)CCCN2CCCCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C22H33ClN2O/c1-2-21(26)22(19-8-6-9-20(23)18-19)10-16-25(17-11-22)15-7-14-24-12-4-3-5-13-24/h6,8-9,18H,2-5,7,10-17H2,1H3
InChIKey
ZOUCTAROMYJILN-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ylpropyl)piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22815 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23543 195.1
[M+Na]+ 399.21737 196.7
[M-H]- 375.22087 199.0
[M+NH4]+ 394.26197 206.0
[M+K]+ 415.19131 190.3
[M+H-H2O]+ 359.22541 184.0
[M+HCOO]- 421.22635 201.4
[M+CH3COO]- 435.24200 216.6
[M+Na-2H]- 397.20282 192.9
[M]+ 376.22760 189.7
[M]- 376.22870 189.7
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.