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 183.5
[M+Na]+ 364.18832 185.9
[M-H]- 340.19182 188.8
[M+NH4]+ 359.23292 193.8
[M+K]+ 380.16226 181.6
[M+H-H2O]+ 324.19636 173.0
[M+HCOO]- 386.19730 199.1
[M+CH3COO]- 400.21295 209.3
[M+Na-2H]- 362.17377 184.2
[M]+ 341.19855 180.9
[M]- 341.19965 180.9
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.