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]+ 309.196146 176.4
[M+Na]+ 331.178088 180.2
[M-H]- 307.181594 181.8
[M+NH4]+ 326.222693 187.3
[M+K]+ 347.152028 174.8
[M+H-H2O]+ 291.186130 165.2
[M+HCOO]- 353.187071 192.3
[M+CH3COO]- 367.202721 185.1
[M+Na-2H]- 329.163536 178.0
[M]+ 308.18832142 172.2
[M]- 308.18941858 172.2
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.