CID 5397522

16004-43-6

Structural Information

Molecular Formula

C₈H₈N₄O₃

SMILES

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

InChI

InChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H3,9,11,13)/b10-5-

InChIKey

OEOKLBSECDAYSM-YHYXMXQVSA-N

Compound name

[(Z)-(2-nitrophenyl)methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 208.05965 Da
Monoisotopic Mass: 1.0
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]+	209.06693	141.1
[M+Na]+	231.04887	150.9
[M+NH4]+	226.09347	147.6
[M+K]+	247.02281	149.0
[M-H]-	207.05237	144.8
[M+Na-2H]-	229.03432	146.7
[M]+	208.05910	142.9
[M]-	208.06020	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe