CID 202521

10560-23-3

Structural Information

Molecular Formula
C24H32N2O2
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)C3=CC(=C(C=C3)O)CN4CCCCC4)O
InChI
InChI=1S/C24H32N2O2/c27-23-9-7-19(15-21(23)17-25-11-3-1-4-12-25)20-8-10-24(28)22(16-20)18-26-13-5-2-6-14-26/h7-10,15-16,27-28H,1-6,11-14,17-18H2
InChIKey
KJSLTUMJIPXMHI-UHFFFAOYSA-N
Compound name
4-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.6
[M+Na]+ 403.235588 197.7
[M-H]- 379.239094 201.6
[M+NH4]+ 398.280193 202.9
[M+K]+ 419.209528 190.6
[M+H-H2O]+ 363.243630 184.3
[M+HCOO]- 425.244571 205.9
[M+CH3COO]- 439.260221 202.0
[M+Na-2H]- 401.221036 194.3
[M]+ 380.24582142 186.7
[M]- 380.24691858 186.7
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.