CID 3046475

2-benzofurancarboxamide, n-(aminoiminomethyl)-

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)N=C(N)N

InChI

InChI=1S/C10H9N3O2/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H4,11,12,13,14)

InChIKey

XDMAQWGYDDYPSL-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.06947 Da
Monoisotopic Mass: 1.8
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]+	204.07675	142.8
[M+Na]+	226.05869	152.6
[M+NH4]+	221.10329	150.3
[M+K]+	242.03263	150.2
[M-H]-	202.06219	146.8
[M+Na-2H]-	224.04414	147.7
[M]+	203.06892	144.9
[M]-	203.07002	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe