CID 94055

58451-86-8

Structural Information

Molecular Formula
C33H35NO2
SMILES
C1CC(NC(C1)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O)C(CC4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C33H35NO2/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/h1-12,14-21,30-31,34-36H,13,22-25H2
InChIKey
OSIAKYRUAHXXOZ-UHFFFAOYSA-N
Compound name
1-[6-(1-hydroxy-1,2-diphenylethyl)piperidin-2-yl]-1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.26678 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.27406 216.4
[M+Na]+ 500.25600 215.0
[M-H]- 476.25950 223.4
[M+NH4]+ 495.30060 217.9
[M+K]+ 516.22994 206.1
[M+H-H2O]+ 460.26404 203.7
[M+HCOO]- 522.26498 224.4
[M+CH3COO]- 536.28063 219.6
[M+Na-2H]- 498.24145 218.7
[M]+ 477.26623 206.2
[M]- 477.26733 206.2
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.