CID 218012

1-(1-(4-methoxyphenyl)-2-(phenylthio)ethyl)-4-methylpiperazine dimaleate

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CN1CCN(CC1)C(CSC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H26N2OS/c1-21-12-14-22(15-13-21)20(16-24-19-6-4-3-5-7-19)17-8-10-18(23-2)11-9-17/h3-11,20H,12-16H2,1-2H3
InChIKey
BZDBRNSFIJWSCJ-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18385 181.7
[M+Na]+ 365.16579 185.8
[M-H]- 341.16929 187.2
[M+NH4]+ 360.21039 192.3
[M+K]+ 381.13973 180.2
[M+H-H2O]+ 325.17383 171.2
[M+HCOO]- 387.17477 192.7
[M+CH3COO]- 401.19042 190.0
[M+Na-2H]- 363.15124 180.9
[M]+ 342.17602 180.6
[M]- 342.17712 180.6
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.