CID 216728

1-(2-phenylthiobenzyl)piperazine mesylate

Structural Information

Molecular Formula
C17H20N2S
SMILES
C1CN(CCN1)CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C17H20N2S/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKey
LYFRZKTZELCGBK-UHFFFAOYSA-N
Compound name
1-[(2-phenylsulfanylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1347 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.141976 164.5
[M+Na]+ 307.123918 169.4
[M-H]- 283.127424 168.9
[M+NH4]+ 302.168523 176.8
[M+K]+ 323.097858 162.4
[M+H-H2O]+ 267.131960 155.0
[M+HCOO]- 329.132901 176.1
[M+CH3COO]- 343.148551 173.6
[M+Na-2H]- 305.109366 166.7
[M]+ 284.13415142 159.6
[M]- 284.13524858 159.6
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.