CID 218026

Piperazine, 1-acetyl-4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (z)-2-butenedioate (1:1)

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]+ 353.222376 188.3
[M+Na]+ 375.204318 190.8
[M-H]- 351.207824 193.4
[M+NH4]+ 370.248923 197.3
[M+K]+ 391.178258 186.2
[M+H-H2O]+ 335.212360 176.7
[M+HCOO]- 397.213301 202.7
[M+CH3COO]- 411.228951 214.7
[M+Na-2H]- 373.189766 187.7
[M]+ 352.21455142 185.5
[M]- 352.21564858 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.