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]+ 416.258406 204.1
[M+Na]+ 438.240348 204.6
[M-H]- 414.243854 210.4
[M+NH4]+ 433.284953 209.9
[M+K]+ 454.214288 197.5
[M+H-H2O]+ 398.248390 192.6
[M+HCOO]- 460.249331 215.0
[M+CH3COO]- 474.264981 209.5
[M+Na-2H]- 436.225796 204.0
[M]+ 415.25058142 197.3
[M]- 415.25167858 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.