CID 59334

102395-69-7

Structural Information

Molecular Formula
C26H33NO2
SMILES
CCOC(=O)C1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H33NO2/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3
InChIKey
OFTUIURQIJWEPK-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.25113 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 201.4
[M+Na]+ 414.24035 202.0
[M-H]- 390.24385 209.8
[M+NH4]+ 409.28495 213.1
[M+K]+ 430.21429 197.0
[M+H-H2O]+ 374.24839 188.7
[M+HCOO]- 436.24933 213.7
[M+CH3COO]- 450.26498 207.7
[M+Na-2H]- 412.22580 201.3
[M]+ 391.25058 193.2
[M]- 391.25168 193.2
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.