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: 14
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]+	154.061106	130.9
[M+Na]+	176.043048	137.2
[M-H]-	152.046554	135.8
[M+NH4]+	171.087653	151.2
[M+K]+	192.016988	138.0
[M+H-H2O]+	136.051090	124.1
[M+HCOO]-	198.052031	158.2
[M+CH3COO]-	212.067681	181.2
[M+Na-2H]-	174.028496	136.0
[M]+	153.05328142	128.4
[M]-	153.05437858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe