CID 94052

58451-83-5

Structural Information

Molecular Formula
C33H29NO2
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=NC(=CC=C3)C(CC4=CC=CC=C4)(C5=CC=CC=C5)O)O
InChI
InChI=1S/C33H29NO2/c35-32(28-18-9-3-10-19-28,24-26-14-5-1-6-15-26)30-22-13-23-31(34-30)33(36,29-20-11-4-12-21-29)25-27-16-7-2-8-17-27/h1-23,35-36H,24-25H2
InChIKey
NEQZNVCTZFSAIO-UHFFFAOYSA-N
Compound name
1-[6-(1-hydroxy-1,2-diphenylethyl)pyridin-2-yl]-1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.21982 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.22710 217.2
[M+Na]+ 494.20904 219.1
[M-H]- 470.21254 226.6
[M+NH4]+ 489.25364 219.7
[M+K]+ 510.18298 210.4
[M+H-H2O]+ 454.21708 203.9
[M+HCOO]- 516.21802 230.4
[M+CH3COO]- 530.23367 222.4
[M+Na-2H]- 492.19449 222.3
[M]+ 471.21927 212.5
[M]- 471.22037 212.5
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.