CID 22341848

244021-01-0

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCC1(CC(=O)C(C(N1OC(C)C2=CC=CC=C2)(C)CC)C)C
InChI
InChI=1S/C20H31NO2/c1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17/h9-13,15-16H,7-8,14H2,1-6H3
InChIKey
XNTBMMKNLWUKDH-UHFFFAOYSA-N
Compound name
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

166
Patents

317.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 175.6
[M+Na]+ 340.224688 182.2
[M-H]- 316.228194 180.6
[M+NH4]+ 335.269293 193.2
[M+K]+ 356.198628 179.4
[M+H-H2O]+ 300.232730 168.5
[M+HCOO]- 362.233671 192.0
[M+CH3COO]- 376.249321 211.6
[M+Na-2H]- 338.210136 176.3
[M]+ 317.23492142 177.0
[M]- 317.23601858 177.0
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

patents stripe