CID 3065074

3-((3,5-dimethylpiperidino)methyl)-4-biphenylol

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1CC(CN(C1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H25NO/c1-15-10-16(2)13-21(12-15)14-19-11-18(8-9-20(19)22)17-6-4-3-5-7-17/h3-9,11,15-16,22H,10,12-14H2,1-2H3
InChIKey
ISBGXYIDOMUACZ-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 173.2
[M+Na]+ 318.182818 178.6
[M-H]- 294.186324 179.5
[M+NH4]+ 313.227423 186.3
[M+K]+ 334.156758 172.8
[M+H-H2O]+ 278.190860 163.7
[M+HCOO]- 340.191801 189.8
[M+CH3COO]- 354.207451 182.9
[M+Na-2H]- 316.168266 174.0
[M]+ 295.19305142 168.9
[M]- 295.19414858 168.9
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.