CID 29981497

4-hydroxy duloxetine

Structural Information

Molecular Formula
C18H19NO2S
SMILES
CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
InChIKey
DRRXQCXSBONKPD-KRWDZBQOSA-N
Compound name
4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

313.11365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 171.1
[M+Na]+ 336.10287 184.1
[M+NH4]+ 331.14747 180.3
[M+K]+ 352.07681 175.9
[M-H]- 312.10637 176.3
[M+Na-2H]- 334.08832 179.0
[M]+ 313.11310 175.0
[M]- 313.11420 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.