CID 6321387

Nifurdazil

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₅

SMILES

C1CN(C(=O)N1CCO)/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O5/c15-6-5-12-3-4-13(10(12)16)11-7-8-1-2-9(19-8)14(17)18/h1-2,7,15H,3-6H2/b11-7+

InChIKey

VDDRCCQKLVNYHQ-YRNVUSSQSA-N

Compound name

1-(2-hydroxyethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1086
Patents: 268.08078 Da
Monoisotopic Mass: -1.1
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]+	269.088056	156.7
[M+Na]+	291.069998	162.7
[M-H]-	267.073504	162.0
[M+NH4]+	286.114603	171.1
[M+K]+	307.043938	158.0
[M+H-H2O]+	251.078040	153.4
[M+HCOO]-	313.078981	180.3
[M+CH3COO]-	327.094631	189.9
[M+Na-2H]-	289.055446	161.7
[M]+	268.08023142	156.0
[M]-	268.08132858	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe