CID 89282

Brn 0708466

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₅

SMILES

C1C(=O)N(C(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C14H10N4O5/c19-12-9-16(14(20)17(12)10-4-2-1-3-5-10)15-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2

InChIKey

PGBYZQMLFZWJHF-UHFFFAOYSA-N

Compound name

1-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.06512 Da
Monoisotopic Mass: 2.1
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]+	315.072396	168.1
[M+Na]+	337.054338	174.9
[M-H]-	313.057844	178.3
[M+NH4]+	332.098943	180.9
[M+K]+	353.028278	169.1
[M+H-H2O]+	297.062380	163.6
[M+HCOO]-	359.063321	193.3
[M+CH3COO]-	373.078971	200.8
[M+Na-2H]-	335.039786	172.7
[M]+	314.06457142	167.8
[M]-	314.06566858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.