CID 6436113

Nifurprazine

Structural Information

Molecular Formula

C₁₀H₈N₄O₃

SMILES

C1=CC(=NN=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])N

InChI

InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+

InChIKey

XDWLRMBWIWKFNC-HNQUOIGGSA-N

Compound name

6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 1354
Patents: 232.05965 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]+	233.066926	147.6
[M+Na]+	255.048868	155.4
[M-H]-	231.052374	152.7
[M+NH4]+	250.093473	161.7
[M+K]+	271.022808	148.9
[M+H-H2O]+	215.056910	143.6
[M+HCOO]-	277.057851	172.4
[M+CH3COO]-	291.073501	183.6
[M+Na-2H]-	253.034316	155.8
[M]+	232.05910142	145.8
[M]-	232.06019858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe