CID 218429

40580-25-4

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCN(CC1)CC(=O)NC2(CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/c22-18(16-21-13-7-2-8-14-21)20-19(11-5-6-12-19)15-17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-8,11-16H2,(H,20,22)
InChIKey
IAUIEBSRTLBJFV-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.1
[M+Na]+ 323.20937 175.7
[M-H]- 299.21287 181.2
[M+NH4]+ 318.25397 190.8
[M+K]+ 339.18331 171.6
[M+H-H2O]+ 283.21741 165.5
[M+HCOO]- 345.21835 191.9
[M+CH3COO]- 359.23400 202.9
[M+Na-2H]- 321.19482 175.4
[M]+ 300.21960 166.9
[M]- 300.22070 166.9
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.