CID 380284

101858-22-4

Structural Information

Molecular Formula
C29H33NO2
SMILES
C1CC2CC(CC1N2CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C5=CC=CC=C5)O
InChI
InChI=1S/C29H33NO2/c31-28(23-11-4-1-5-12-23)21-26-17-18-27(22-28)30(26)20-10-19-29(32,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,31-32H,10,17-22H2
InChIKey
WVYHWXIPRDZZRF-UHFFFAOYSA-N
Compound name
8-(4-hydroxy-4,4-diphenylbutyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.25841 208.1
[M+Na]+ 450.24035 210.2
[M-H]- 426.24385 214.5
[M+NH4]+ 445.28495 219.0
[M+K]+ 466.21429 202.4
[M+H-H2O]+ 410.24839 197.2
[M+HCOO]- 472.24933 218.7
[M+CH3COO]- 486.26498 214.0
[M+Na-2H]- 448.22580 209.4
[M]+ 427.25058 202.7
[M]- 427.25168 202.7
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.