CID 218028

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

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCN1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H30N2O/c1-3-23-15-17-24(18-16-23)22(14-9-19-7-5-4-6-8-19)20-10-12-21(25-2)13-11-20/h4-8,10-13,22H,3,9,14-18H2,1-2H3
InChIKey
FFMGTQCVHKXEIH-UHFFFAOYSA-N
Compound name
1-ethyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 186.3
[M+Na]+ 361.225018 188.9
[M-H]- 337.228524 191.2
[M+NH4]+ 356.269623 196.1
[M+K]+ 377.198958 183.6
[M+H-H2O]+ 321.233060 174.5
[M+HCOO]- 383.234001 201.2
[M+CH3COO]- 397.249651 213.2
[M+Na-2H]- 359.210466 186.7
[M]+ 338.23525142 183.4
[M]- 338.23634858 183.4
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.