CID 827233

1-piperidinepropanamide, n-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride

Structural Information

Molecular Formula
C20H28N2O
SMILES
C1CCN(CC1)CCC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C20H28N2O/c23-19(10-13-22-11-2-1-3-12-22)21-20-17-8-4-6-15(17)14-16-7-5-9-18(16)20/h14H,1-13H2,(H,21,23)
InChIKey
XJBWCTRAAVIUIR-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 178.1
[M+Na]+ 335.20937 186.5
[M+NH4]+ 330.25397 187.2
[M+K]+ 351.18331 182.5
[M-H]- 311.21287 182.1
[M+Na-2H]- 333.19482 180.7
[M]+ 312.21960 180.1
[M]- 312.22070 180.1
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.