CID 59719

Ta 42

Structural Information

Molecular Formula
C22H33NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCOC2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H33NO3/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3
InChIKey
FZYGNGLHOOCOAV-UHFFFAOYSA-N
Compound name
ethyl 1-(2-cyclohexyloxyethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.24603 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.253306 191.6
[M+Na]+ 382.235248 191.4
[M-H]- 358.238754 196.9
[M+NH4]+ 377.279853 203.3
[M+K]+ 398.209188 188.1
[M+H-H2O]+ 342.243290 180.8
[M+HCOO]- 404.244231 204.3
[M+CH3COO]- 418.259881 212.7
[M+Na-2H]- 380.220696 190.8
[M]+ 359.24548142 186.0
[M]- 359.24657858 186.0
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.