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
1
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]+ 318.24275 175.6
[M+Na]+ 340.22469 182.2
[M-H]- 316.22819 180.6
[M+NH4]+ 335.26929 193.2
[M+K]+ 356.19863 179.4
[M+H-H2O]+ 300.23273 168.5
[M+HCOO]- 362.23367 192.0
[M+CH3COO]- 376.24932 211.6
[M+Na-2H]- 338.21014 176.3
[M]+ 317.23492 177.0
[M]- 317.23602 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