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 177.0
[M+Na]+ 335.20937 179.1
[M-H]- 311.21287 182.2
[M+NH4]+ 330.25397 194.8
[M+K]+ 351.18331 174.0
[M+H-H2O]+ 295.21741 168.8
[M+HCOO]- 357.21835 192.3
[M+CH3COO]- 371.23400 185.6
[M+Na-2H]- 333.19482 175.0
[M]+ 312.21960 170.6
[M]- 312.22070 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

literature stripe

Patent stripe

No patent data available for this compound.