CID 218016

1-methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)piperazine dimaleate

Structural Information

Molecular Formula
C17H22N2S2
SMILES
CN1CCN(CC1)C(CSC2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C17H22N2S2/c1-18-9-11-19(12-10-18)16(17-8-5-13-20-17)14-21-15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3
InChIKey
ABFVRVZJHMTBEI-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-phenylsulfanyl-1-thiophen-2-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12972 170.9
[M+Na]+ 341.11166 176.8
[M-H]- 317.11516 176.9
[M+NH4]+ 336.15626 185.1
[M+K]+ 357.08560 170.9
[M+H-H2O]+ 301.11970 162.8
[M+HCOO]- 363.12064 178.9
[M+CH3COO]- 377.13629 180.4
[M+Na-2H]- 339.09711 167.8
[M]+ 318.12189 169.6
[M]- 318.12299 169.6
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.