CID 504085

Chembl461284

Structural Information

Molecular Formula
C27H31NO
SMILES
CC(C)[C@H]1C[C@H](CCN1C2=CC=CC=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H31NO/c1-21(2)26-20-25(18-19-28(26)24-16-10-5-11-17-24)29-27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25-27H,18-20H2,1-2H3/t25-,26+/m0/s1
InChIKey
JJYFATIJRSJXEC-IZZNHLLZSA-N
Compound name
(2R,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.24057 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24785 197.8
[M+Na]+ 408.22979 199.0
[M-H]- 384.23329 206.7
[M+NH4]+ 403.27439 206.0
[M+K]+ 424.20373 192.8
[M+H-H2O]+ 368.23783 185.4
[M+HCOO]- 430.23877 212.4
[M+CH3COO]- 444.25442 204.7
[M+Na-2H]- 406.21524 196.7
[M]+ 385.24002 192.5
[M]- 385.24112 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.