CID 166751

Etipirol

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CCN1C=C(C(=N1)C(=O)NC)C(=O)NC

InChI

InChI=1S/C9H14N4O2/c1-4-13-5-6(8(14)10-2)7(12-13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15)

InChIKey

CLJBPOOJGPRGPF-UHFFFAOYSA-N

Compound name

1-ethyl-3-N,4-N-dimethylpyrazole-3,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 210.11168 Da
Monoisotopic Mass: -0.6
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]+	211.11896	147.6
[M+Na]+	233.10090	155.5
[M+NH4]+	228.14550	152.7
[M+K]+	249.07484	154.1
[M-H]-	209.10440	146.8
[M+Na-2H]-	231.08635	150.5
[M]+	210.11113	147.9
[M]-	210.11223	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe