CID 59068

N,n-diethyl-1-phenethylnipecotamide

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCN(CC)C(=O)C1CCCN(C1)CCC2=CC=CC=C2
InChI
InChI=1S/C18H28N2O/c1-3-20(4-2)18(21)17-11-8-13-19(15-17)14-12-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3
InChIKey
YNWLYCAZWWTDFY-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-(2-phenylethyl)piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.0
[M+Na]+ 311.20937 175.0
[M-H]- 287.21287 177.8
[M+NH4]+ 306.25397 187.0
[M+K]+ 327.18331 172.4
[M+H-H2O]+ 271.21741 163.5
[M+HCOO]- 333.21835 191.3
[M+CH3COO]- 347.23400 208.5
[M+Na-2H]- 309.19482 173.7
[M]+ 288.21960 170.6
[M]- 288.22070 170.6
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.