CID 120526

Pyrazinecarboxamide, n-(piperidinomethyl)-

Structural Information

Molecular Formula

C₁₁H₁₆N₄O

SMILES

C1CCN(CC1)CNC(=O)C2=NC=CN=C2

InChI

InChI=1S/C11H16N4O/c16-11(10-8-12-4-5-13-10)14-9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,14,16)

InChIKey

BPRFUDZYPUTVJX-UHFFFAOYSA-N

Compound name

N-(piperidin-1-ylmethyl)pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 220.13242 Da
Monoisotopic Mass: 0.4
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]+	221.13970	150.8
[M+Na]+	243.12164	161.8
[M+NH4]+	238.16624	157.7
[M+K]+	259.09558	155.7
[M-H]-	219.12514	153.0
[M+Na-2H]-	241.10709	157.9
[M]+	220.13187	152.6
[M]-	220.13297	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe