CID 3061467

Propionamide, n-(1-phenethyl-4-piperidyl)-n-(2-pyridyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C21H27N3O/c1-2-21(25)24(20-10-6-7-14-22-20)19-12-16-23(17-13-19)15-11-18-8-4-3-5-9-18/h3-10,14,19H,2,11-13,15-17H2,1H3
InChIKey
SOPOBRIXUHVTLO-UHFFFAOYSA-N
Compound name
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 183.8
[M+Na]+ 360.20464 185.5
[M-H]- 336.20814 190.0
[M+NH4]+ 355.24924 193.5
[M+K]+ 376.17858 181.2
[M+H-H2O]+ 320.21268 171.7
[M+HCOO]- 382.21362 200.8
[M+CH3COO]- 396.22927 215.9
[M+Na-2H]- 358.19009 185.5
[M]+ 337.21487 180.0
[M]- 337.21597 180.0
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

patents stripe