CID 200537

2238-77-9

Structural Information

Molecular Formula
C20H26NO2S
SMILES
C=CC[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C20H26NO2S/c1-2-11-21(13-15-23-16-14-21)12-10-20(22,19-9-6-17-24-19)18-7-4-3-5-8-18/h2-9,17,22H,1,10-16H2/q+1
InChIKey
SYOVJJYWKNRKHS-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16843 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17571 178.0
[M+Na]+ 367.15765 191.0
[M+NH4]+ 362.20225 188.5
[M+K]+ 383.13159 182.2
[M-H]- 343.16115 185.2
[M+Na-2H]- 365.14310 187.5
[M]+ 344.16788 182.9
[M]- 344.16898 182.9
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.