CID 118489532

N-hydroxy vortioxetine

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCN(CC3)O)C
InChI
InChI=1S/C18H22N2OS/c1-14-7-8-17(15(2)13-14)22-18-6-4-3-5-16(18)19-9-11-20(21)12-10-19/h3-8,13,21H,9-12H2,1-2H3
InChIKey
SFZVSIQLKIWKAK-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

314.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 173.9
[M+Na]+ 337.13452 180.7
[M-H]- 313.13802 179.2
[M+NH4]+ 332.17912 185.7
[M+K]+ 353.10846 174.1
[M+H-H2O]+ 297.14256 164.5
[M+HCOO]- 359.14350 185.1
[M+CH3COO]- 373.15915 183.2
[M+Na-2H]- 335.11997 173.3
[M]+ 314.14475 171.9
[M]- 314.14585 171.9
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.