CID 3041468

Propionamide, n-(1-methyl-2-piperidinopropyl)-n-2-pyridyl-, threo-

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)[C@H](C)[C@@H](C)N2CCCCC2
InChI
InChI=1S/C17H27N3O/c1-4-17(21)20(16-10-6-7-11-18-16)15(3)14(2)19-12-8-5-9-13-19/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3/t14-,15-/m1/s1
InChIKey
UXFTVOCXAUKZMZ-HUUCEWRRSA-N
Compound name
N-[(2R,3R)-3-piperidin-1-ylbutan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.4
[M+Na]+ 312.20464 173.3
[M-H]- 288.20814 175.7
[M+NH4]+ 307.24924 184.5
[M+K]+ 328.17858 171.8
[M+H-H2O]+ 272.21268 162.2
[M+HCOO]- 334.21362 187.7
[M+CH3COO]- 348.22927 208.8
[M+Na-2H]- 310.19009 172.2
[M]+ 289.21487 168.6
[M]- 289.21597 168.6
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.