CID 198379

1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)1-propanone 3hcl

Structural Information

Molecular Formula
C22H34ClN3O
SMILES
CCC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C22H34ClN3O/c1-3-21(27)22(19-6-4-7-20(23)18-19)8-12-25(13-9-22)10-5-11-26-16-14-24(2)15-17-26/h4,6-7,18H,3,5,8-17H2,1-2H3
InChIKey
ZLGRUKDDVLYXSO-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.23904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24632 198.8
[M+Na]+ 414.22826 201.2
[M-H]- 390.23176 201.6
[M+NH4]+ 409.27286 207.9
[M+K]+ 430.20220 194.8
[M+H-H2O]+ 374.23630 186.9
[M+HCOO]- 436.23724 203.7
[M+CH3COO]- 450.25289 220.4
[M+Na-2H]- 412.21371 196.0
[M]+ 391.23849 194.3
[M]- 391.23959 194.3
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.