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 204.1
[M+Na]+ 438.24035 204.6
[M-H]- 414.24385 210.4
[M+NH4]+ 433.28495 209.9
[M+K]+ 454.21429 197.5
[M+H-H2O]+ 398.24839 192.6
[M+HCOO]- 460.24933 215.0
[M+CH3COO]- 474.26498 209.5
[M+Na-2H]- 436.22580 204.0
[M]+ 415.25058 197.3
[M]- 415.25168 197.3
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.