CID 94051

2,6-bis(diphenylhydroxymethyl)piperidine

Structural Information

Molecular Formula
C31H25NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O
InChI
InChI=1S/C31H25NO2/c33-30(24-14-5-1-6-15-24,25-16-7-2-8-17-25)28-22-13-23-29(32-28)31(34,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23,33-34H
InChIKey
QITKNQKNNKBEPG-UHFFFAOYSA-N
Compound name
[6-[hydroxy(diphenyl)methyl]pyridin-2-yl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

443.18854 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19582 208.9
[M+Na]+ 466.17776 211.8
[M-H]- 442.18126 218.8
[M+NH4]+ 461.22236 212.6
[M+K]+ 482.15170 203.5
[M+H-H2O]+ 426.18580 196.2
[M+HCOO]- 488.18674 222.9
[M+CH3COO]- 502.20239 215.0
[M+Na-2H]- 464.16321 215.1
[M]+ 443.18799 203.7
[M]- 443.18909 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe