CID 431420

34449-72-4

Structural Information

Molecular Formula
C28H38N2O2S
SMILES
C1CCN(CC1)CCCOC2=CC3=C(C=C2)SC4=C3C=C(C=C4)OCCCN5CCCCC5
InChI
InChI=1S/C28H38N2O2S/c1-3-13-29(14-4-1)17-7-19-31-23-9-11-27-25(21-23)26-22-24(10-12-28(26)33-27)32-20-8-18-30-15-5-2-6-16-30/h9-12,21-22H,1-8,13-20H2
InChIKey
WDYBGTOAKZIVRX-UHFFFAOYSA-N
Compound name
1-[3-[8-(3-piperidin-1-ylpropoxy)dibenzothiophen-2-yl]oxypropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

466.2654 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.27268 212.4
[M+Na]+ 489.25462 214.5
[M-H]- 465.25812 218.2
[M+NH4]+ 484.29922 221.4
[M+K]+ 505.22856 207.4
[M+H-H2O]+ 449.26266 201.1
[M+HCOO]- 511.26360 219.6
[M+CH3COO]- 525.27925 217.8
[M+Na-2H]- 487.24007 209.4
[M]+ 466.26485 211.9
[M]- 466.26595 211.9
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

patents stripe