CID 218026

1-acetyl-4-(1-(4-methoxyphenyl)-3-phenylpropyl)piperazine maleate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC(=O)N1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28N2O2/c1-18(25)23-14-16-24(17-15-23)22(13-8-19-6-4-3-5-7-19)20-9-11-21(26-2)12-10-20/h3-7,9-12,22H,8,13-17H2,1-2H3
InChIKey
QKPYFGPITDXSFW-UHFFFAOYSA-N
Compound name
1-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.3
[M+Na]+ 375.20432 190.8
[M-H]- 351.20782 193.4
[M+NH4]+ 370.24892 197.3
[M+K]+ 391.17826 186.2
[M+H-H2O]+ 335.21236 176.7
[M+HCOO]- 397.21330 202.7
[M+CH3COO]- 411.22895 214.7
[M+Na-2H]- 373.18977 187.7
[M]+ 352.21455 185.5
[M]- 352.21565 185.5
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.