CID 506609

Schembl17873924

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

C1CCN(CC1)CCCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H21N3O/c18-14(13-6-4-7-15-12-13)16-8-5-11-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11H2,(H,16,18)

InChIKey

FAXQQQWOLVINSQ-UHFFFAOYSA-N

Compound name

N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.16846 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.175736	159.2
[M+Na]+	270.157678	161.7
[M-H]-	246.161184	161.3
[M+NH4]+	265.202283	172.5
[M+K]+	286.131618	158.5
[M+H-H2O]+	230.165720	149.3
[M+HCOO]-	292.166661	177.0
[M+CH3COO]-	306.182311	194.6
[M+Na-2H]-	268.143126	163.6
[M]+	247.16791142	154.2
[M]-	247.16900858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe