CID 3040657

Ethanediamide, 2-pyridinyl-

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

C1=CC=NC(=C1)NC(=O)C(=O)N

InChI

InChI=1S/C7H7N3O2/c8-6(11)7(12)10-5-3-1-2-4-9-5/h1-4H,(H2,8,11)(H,9,10,12)

InChIKey

VGYTTXXZHJQZQZ-UHFFFAOYSA-N

Compound name

N'-pyridin-2-yloxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 165.05383 Da
Monoisotopic Mass: -0.1
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]+	166.06111	132.5
[M+Na]+	188.04305	139.2
[M-H]-	164.04655	134.6
[M+NH4]+	183.08765	150.6
[M+K]+	204.01699	138.0
[M+H-H2O]+	148.05109	125.4
[M+HCOO]-	210.05203	156.8
[M+CH3COO]-	224.06768	179.8
[M+Na-2H]-	186.02850	139.0
[M]+	165.05328	129.7
[M]-	165.05438	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe