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 181.8
[M+Na]+ 347.20937 184.9
[M-H]- 323.21287 187.0
[M+NH4]+ 342.25397 192.2
[M+K]+ 363.18331 179.9
[M+H-H2O]+ 307.21741 170.4
[M+HCOO]- 369.21835 197.2
[M+CH3COO]- 383.23400 210.2
[M+Na-2H]- 345.19482 182.9
[M]+ 324.21960 178.7
[M]- 324.22070 178.7
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.