CID 11809651

N-benzoylmeroquinene tert-butyl ester

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(C)(C)OC(=O)C[C@@H]1CCN(C[C@@H]1C=C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H27NO3/c1-5-15-14-21(19(23)16-9-7-6-8-10-16)12-11-17(15)13-18(22)24-20(2,3)4/h5-10,15,17H,1,11-14H2,2-4H3/t15-,17-/m0/s1
InChIKey
LYFYOJAKMXFONP-RDJZCZTQSA-N
Compound name
tert-butyl 2-[(3R,4S)-1-benzoyl-3-ethenylpiperidin-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.7
[M+Na]+ 352.18832 190.9
[M+NH4]+ 347.23292 186.4
[M+K]+ 368.16226 185.3
[M-H]- 328.19182 182.0
[M+Na-2H]- 350.17377 185.0
[M]+ 329.19855 182.3
[M]- 329.19965 182.3
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.