CID 213421

O-(3-piperidino-2-hydroxypropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCC(CN3CCCCC3)O
InChI
InChI=1S/C21H27NO3/c1-17-9-3-4-10-19(17)25-21-12-6-5-11-20(21)24-16-18(23)15-22-13-7-2-8-14-22/h3-6,9-12,18,23H,2,7-8,13-16H2,1H3
InChIKey
NJEGVHNHEXSLGS-UHFFFAOYSA-N
Compound name
1-[2-(2-methylphenoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.9
[M+Na]+ 364.18832 197.8
[M+NH4]+ 359.23292 192.4
[M+K]+ 380.16226 189.9
[M-H]- 340.19182 190.2
[M+Na-2H]- 362.17377 193.0
[M]+ 341.19855 188.2
[M]- 341.19965 188.2
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.