CID 3039131

2-furancarboxamide, n-(aminoiminomethyl)-

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1=COC(=C1)C(=O)N=C(N)N

InChI

InChI=1S/C6H7N3O2/c7-6(8)9-5(10)4-2-1-3-11-4/h1-3H,(H4,7,8,9,10)

InChIKey

BPWBNUCDLIOPSJ-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 153.05383 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]+	154.06111	132.2
[M+Na]+	176.04305	139.5
[M+NH4]+	171.08765	138.9
[M+K]+	192.01699	138.5
[M-H]-	152.04655	134.8
[M+Na-2H]-	174.02850	135.9
[M]+	153.05328	133.3
[M]-	153.05438	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe