CID 24212935

2-(4-benzyl-1-piperazinyl)-1-(4-methylphenyl)ethanone dihydrochloride

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-17-7-9-19(10-8-17)20(23)16-22-13-11-21(12-14-22)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKey
CGURMAUKAVPAPV-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 176.4
[M+Na]+ 331.17809 180.2
[M-H]- 307.18159 181.8
[M+NH4]+ 326.22269 187.3
[M+K]+ 347.15203 174.8
[M+H-H2O]+ 291.18613 165.2
[M+HCOO]- 353.18707 192.3
[M+CH3COO]- 367.20272 185.1
[M+Na-2H]- 329.16354 178.0
[M]+ 308.18832 172.2
[M]- 308.18942 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.