CID 319406

101564-44-7

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2CCCC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H27NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-6,8-10,17-18,23H,3,7,11-15H2,1H3
InChIKey
CJAGDFOELQERCC-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.9
[M+Na]+ 352.18832 191.4
[M+NH4]+ 347.23292 187.9
[M+K]+ 368.16226 185.2
[M-H]- 328.19182 184.8
[M+Na-2H]- 350.17377 187.7
[M]+ 329.19855 183.3
[M]- 329.19965 183.3
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.