CID 3074079

N-(1-(2-(1-cyclohexen-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-phenylpropanamide

Structural Information

Molecular Formula
C23H34N2O
SMILES
CCC(=O)N(C1CCN(CC1C)CCC2=CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C23H34N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h5,8-10,12-13,19,22H,3-4,6-7,11,14-18H2,1-2H3
InChIKey
LYBYICKVYDJKID-UHFFFAOYSA-N
Compound name
N-[1-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.26712 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.274396 191.0
[M+Na]+ 377.256338 190.7
[M-H]- 353.259844 197.8
[M+NH4]+ 372.300943 201.6
[M+K]+ 393.230278 186.7
[M+H-H2O]+ 337.264380 179.8
[M+HCOO]- 399.265321 205.9
[M+CH3COO]- 413.280971 221.1
[M+Na-2H]- 375.241786 188.7
[M]+ 354.26657142 185.0
[M]- 354.26766858 185.0
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

No patent data available for this compound.