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: 31
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]+	211.118956	147.1
[M+Na]+	233.100898	154.6
[M-H]-	209.104404	148.8
[M+NH4]+	228.145503	164.7
[M+K]+	249.074838	153.4
[M+H-H2O]+	193.108940	139.5
[M+HCOO]-	255.109881	170.7
[M+CH3COO]-	269.125531	191.7
[M+Na-2H]-	231.086346	149.9
[M]+	210.11113142	148.0
[M]-	210.11222858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe