CID 65996

Sameridine

Structural Information

Molecular Formula
C21H34N2O
SMILES
CCCCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N(C)CC
InChI
InChI=1S/C21H34N2O/c1-4-6-7-11-16-23-17-14-21(15-18-23,20(24)22(3)5-2)19-12-9-8-10-13-19/h8-10,12-13H,4-7,11,14-18H2,1-3H3
InChIKey
TYWUGCGYWNSRPS-UHFFFAOYSA-N
Compound name
N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

355
Patents

330.26712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27440 186.2
[M+Na]+ 353.25634 196.3
[M+NH4]+ 348.30094 194.8
[M+K]+ 369.23028 186.4
[M-H]- 329.25984 190.2
[M+Na-2H]- 351.24179 193.2
[M]+ 330.26657 188.8
[M]- 330.26767 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe