CID 778887

Brn 3654385

Structural Information

Molecular Formula
C20H32N2O
SMILES
CCCC(CCC)C(=O)NC1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C20H32N2O/c1-3-8-18(9-4-2)20(23)21-19-12-14-22(15-13-19)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3,(H,21,23)
InChIKey
KOBBXTNLFUYMAG-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.25146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.25874 182.1
[M+Na]+ 339.24068 182.8
[M-H]- 315.24418 185.1
[M+NH4]+ 334.28528 194.3
[M+K]+ 355.21462 178.8
[M+H-H2O]+ 299.24872 172.5
[M+HCOO]- 361.24966 198.2
[M+CH3COO]- 375.26531 211.9
[M+Na-2H]- 337.22613 181.3
[M]+ 316.25091 178.5
[M]- 316.25201 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.