CID 213421

26327-70-8

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]+ 342.206376 183.5
[M+Na]+ 364.188318 185.9
[M-H]- 340.191824 188.8
[M+NH4]+ 359.232923 193.8
[M+K]+ 380.162258 181.6
[M+H-H2O]+ 324.196360 173.0
[M+HCOO]- 386.197301 199.1
[M+CH3COO]- 400.212951 209.3
[M+Na-2H]- 362.173766 184.2
[M]+ 341.19855142 180.9
[M]- 341.19964858 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.