CID 380351

102071-16-9

Structural Information

Molecular Formula
C28H33NO2
SMILES
CN1C(CCCC1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C28H33NO2/c1-29-25(20-27(30)22-12-5-2-6-13-22)18-11-19-26(29)21-28(31,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,25-27,30-31H,11,18-21H2,1H3
InChIKey
JENMHGAQDBWNHC-UHFFFAOYSA-N
Compound name
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25841 207.7
[M+Na]+ 438.24035 221.6
[M+NH4]+ 433.28495 215.1
[M+K]+ 454.21429 212.6
[M-H]- 414.24385 214.9
[M+Na-2H]- 436.22580 217.8
[M]+ 415.25058 211.9
[M]- 415.25168 211.9
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.