CID 94051

2,6-bis-(diphenylhydroxymethyl)-pyridine

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

0
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

No patent data available for this compound.