CID 3017196

5-(4-phenyl-1-piperazinyl)pentan-2-one hydrochloride

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC(=O)CCCN1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O/c1-14(18)6-5-9-16-10-12-17(13-11-16)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3
InChIKey
LZGUSKVMQCBGSX-UHFFFAOYSA-N
Compound name
5-(4-phenylpiperazin-1-yl)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 160.2
[M+Na]+ 269.162438 164.2
[M-H]- 245.165944 162.6
[M+NH4]+ 264.207043 174.2
[M+K]+ 285.136378 160.7
[M+H-H2O]+ 229.170480 150.8
[M+HCOO]- 291.171421 176.6
[M+CH3COO]- 305.187071 194.5
[M+Na-2H]- 267.147886 162.8
[M]+ 246.17267142 156.8
[M]- 246.17376858 156.8
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

patents stripe