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]+ 355.27440 191.0
[M+Na]+ 377.25634 190.7
[M-H]- 353.25984 197.8
[M+NH4]+ 372.30094 201.6
[M+K]+ 393.23028 186.7
[M+H-H2O]+ 337.26438 179.8
[M+HCOO]- 399.26532 205.9
[M+CH3COO]- 413.28097 221.1
[M+Na-2H]- 375.24179 188.7
[M]+ 354.26657 185.0
[M]- 354.26767 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.