CID 94053

2,6-bis(dibenzylhydroxymethyl)piperidines

Structural Information

Molecular Formula
C35H33NO2
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C3=NC(=CC=C3)C(CC4=CC=CC=C4)(CC5=CC=CC=C5)O)O
InChI
InChI=1S/C35H33NO2/c37-34(24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)32-22-13-23-33(36-32)35(38,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-23,37-38H,24-27H2
InChIKey
ICTGRDPWQUONIY-UHFFFAOYSA-N
Compound name
2-[6-(2-hydroxy-1,3-diphenylpropan-2-yl)pyridin-2-yl]-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.25113 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.25841 225.3
[M+Na]+ 522.24035 226.3
[M-H]- 498.24385 234.3
[M+NH4]+ 517.28495 226.7
[M+K]+ 538.21429 217.3
[M+H-H2O]+ 482.24839 211.6
[M+HCOO]- 544.24933 237.9
[M+CH3COO]- 558.26498 229.6
[M+Na-2H]- 520.22580 229.5
[M]+ 499.25058 221.2
[M]- 499.25168 221.2
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.