CID 5447130

Nitrofurazone

Structural Information

Molecular Formula

C₆H₆N₄O₄

SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N

InChI

InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+

InChIKey

IAIWVQXQOWNYOU-FPYGCLRLSA-N

Compound name

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1169
References: 24507
Patents: 198.03891 Da
Monoisotopic Mass: 0.2
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]+	199.04619	139.0
[M+Na]+	221.02813	146.9
[M+NH4]+	216.07273	144.7
[M+K]+	237.00207	148.6
[M-H]-	197.03163	142.4
[M+Na-2H]-	219.01358	142.2
[M]+	198.03836	140.3
[M]-	198.03946	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe