CID 417443

66307-35-5

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(CSC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2OS/c1-17-7-5-6-10-20(17)22-13-11-21(12-14-22)15-18(23)16-24-19-8-3-2-4-9-19/h2-10,18,23H,11-16H2,1H3
InChIKey
AWQRVDXIHPAUQH-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
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 181.3
[M+Na]+ 365.16579 194.7
[M+NH4]+ 360.21039 189.6
[M+K]+ 381.13973 184.2
[M-H]- 341.16929 186.9
[M+Na-2H]- 363.15124 189.7
[M]+ 342.17602 185.3
[M]- 342.17712 185.3
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.