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]+ 325.227426 181.8
[M+Na]+ 347.209368 184.9
[M-H]- 323.212874 187.0
[M+NH4]+ 342.253973 192.2
[M+K]+ 363.183308 179.9
[M+H-H2O]+ 307.217410 170.4
[M+HCOO]- 369.218351 197.2
[M+CH3COO]- 383.234001 210.2
[M+Na-2H]- 345.194816 182.9
[M]+ 324.21960142 178.7
[M]- 324.22069858 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.