CID 218010

1-methyl-4-(1-(4-(methylthio)phenyl)-3-phenylpropyl)piperazine dimaleate

Structural Information

Molecular Formula
C21H28N2S
SMILES
CN1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)SC
InChI
InChI=1S/C21H28N2S/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
PWAZBTYTBONSMJ-UHFFFAOYSA-N
Compound name
1-methyl-4-[1-(4-methylsulfanylphenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19733 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20461 182.3
[M+Na]+ 363.18655 186.2
[M-H]- 339.19005 187.6
[M+NH4]+ 358.23115 193.0
[M+K]+ 379.16049 179.7
[M+H-H2O]+ 323.19459 171.8
[M+HCOO]- 385.19553 192.8
[M+CH3COO]- 399.21118 190.4
[M+Na-2H]- 361.17200 180.9
[M]+ 340.19678 180.2
[M]- 340.19788 180.2
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.