CID 120524

N-((diethylamino)methyl)pyrazinecarboxamide

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

CCN(CC)CNC(=O)C1=NC=CN=C1

InChI

InChI=1S/C10H16N4O/c1-3-14(4-2)8-13-10(15)9-7-11-5-6-12-9/h5-7H,3-4,8H2,1-2H3,(H,13,15)

InChIKey

HJOCENZPTLAPNV-UHFFFAOYSA-N

Compound name

N-(diethylaminomethyl)pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.13242 Da
Monoisotopic Mass: 0.7
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]+	209.13970	147.2
[M+Na]+	231.12164	157.3
[M+NH4]+	226.16624	153.8
[M+K]+	247.09558	152.1
[M-H]-	207.12514	148.6
[M+Na-2H]-	229.10709	153.5
[M]+	208.13187	148.7
[M]-	208.13297	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe