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)-2-pyridinyl]-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]+ 472.227096 217.2
[M+Na]+ 494.209038 219.1
[M-H]- 470.212544 226.6
[M+NH4]+ 489.253643 219.7
[M+K]+ 510.182978 210.4
[M+H-H2O]+ 454.217080 203.9
[M+HCOO]- 516.218021 230.4
[M+CH3COO]- 530.233671 222.4
[M+Na-2H]- 492.194486 222.3
[M]+ 471.21927142 212.5
[M]- 471.22036858 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.