CID 3069147

Piperazine, 1-(3-(4-(methylthio)phenoxy)propyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CSC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2OS/c1-24-20-10-8-19(9-11-20)23-17-5-12-21-13-15-22(16-14-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3
InChIKey
YRESYFDTCKWRNV-UHFFFAOYSA-N
Compound name
1-[3-(4-methylsulfanylphenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17657 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18385 181.6
[M+Na]+ 365.16579 186.1
[M-H]- 341.16929 187.1
[M+NH4]+ 360.21039 192.3
[M+K]+ 381.13973 180.0
[M+H-H2O]+ 325.17383 171.0
[M+HCOO]- 387.17477 193.8
[M+CH3COO]- 401.19042 190.1
[M+Na-2H]- 363.15124 181.9
[M]+ 342.17602 181.1
[M]- 342.17712 181.1
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.