CID 202446

10429-12-6

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1CCN(CC1)CCCOC2=CC=CC=C2C(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO2/c23-21(18-10-3-1-4-11-18)19-12-5-6-13-20(19)24-17-9-16-22-14-7-2-8-15-22/h1,3-6,10-13,21,23H,2,7-9,14-17H2
InChIKey
JRBAUZRHPUPVCL-UHFFFAOYSA-N
Compound name
phenyl-[2-(3-piperidin-1-ylpropoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.3
[M+Na]+ 348.19342 181.9
[M-H]- 324.19692 185.2
[M+NH4]+ 343.23802 190.9
[M+K]+ 364.16736 176.8
[M+H-H2O]+ 308.20146 169.8
[M+HCOO]- 370.20240 195.7
[M+CH3COO]- 384.21805 206.0
[M+Na-2H]- 346.17887 181.6
[M]+ 325.20365 175.8
[M]- 325.20475 175.8
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.