CID 7673428

2-[(3r,4s)-3-ethyl-1-hexanoylpiperidin-4-yl]-n-propylacetamide

Structural Information

Molecular Formula
C18H34N2O2
SMILES
CCCCCC(=O)N1CC[C@H]([C@H](C1)CC)CC(=O)NCCC
InChI
InChI=1S/C18H34N2O2/c1-4-7-8-9-18(22)20-12-10-16(15(6-3)14-20)13-17(21)19-11-5-2/h15-16H,4-14H2,1-3H3,(H,19,21)/t15-,16-/m0/s1
InChIKey
GOFUCIXBUIDKLL-HOTGVXAUSA-N
Compound name
2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.26202 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.269296 182.2
[M+Na]+ 333.251238 183.8
[M-H]- 309.254744 182.3
[M+NH4]+ 328.295843 195.4
[M+K]+ 349.225178 181.0
[M+H-H2O]+ 293.259280 174.1
[M+HCOO]- 355.260221 197.9
[M+CH3COO]- 369.275871 212.1
[M+Na-2H]- 331.236686 179.2
[M]+ 310.26147142 181.6
[M]- 310.26256858 181.6
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.