CID 211942

3-(4-o-tolyl-1-piperazinyl)-propiophenone hydrochloride

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-17-7-5-6-10-19(17)22-15-13-21(14-16-22)12-11-20(23)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKey
QGSPLLDXRYZHRP-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 177.1
[M+Na]+ 331.17809 191.6
[M+NH4]+ 326.22269 185.2
[M+K]+ 347.15203 182.6
[M-H]- 307.18159 182.8
[M+Na-2H]- 329.16354 186.5
[M]+ 308.18832 180.8
[M]- 308.18942 180.8
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

No patent data available for this compound.