CID 218007

40028-13-5

Structural Information

Molecular Formula
C21H28N2O
SMILES
CN1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)21(13-8-18-6-4-3-5-7-18)19-9-11-20(24-2)12-10-19/h3-7,9-12,21H,8,13-17H2,1-2H3
InChIKey
WRKUTPQXVNPSFH-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-3-phenylpropyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.6
[M+Na]+ 347.20937 196.8
[M+NH4]+ 342.25397 190.7
[M+K]+ 363.18331 187.7
[M-H]- 323.21287 188.5
[M+Na-2H]- 345.19482 191.7
[M]+ 324.21960 186.4
[M]- 324.22070 186.4
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.