CID 504083

Chembl461080

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C)[C@@H]1C[C@H](CCN1C)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29NO/c1-17(2)21-16-20(14-15-23(21)3)24-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,14-16H2,1-3H3/t20-,21-/m0/s1
InChIKey
IEZNENQPFVMLHV-SFTDATJTSA-N
Compound name
(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.5
[M+Na]+ 346.21412 183.9
[M-H]- 322.21762 188.1
[M+NH4]+ 341.25872 193.3
[M+K]+ 362.18806 179.4
[M+H-H2O]+ 306.22216 171.1
[M+HCOO]- 368.22310 196.9
[M+CH3COO]- 382.23875 211.4
[M+Na-2H]- 344.19957 180.8
[M]+ 323.22435 177.6
[M]- 323.22545 177.6
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.