CID 95671

1-phenylurazole

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=O)NC(=O)N2

InChI

InChI=1S/C8H7N3O2/c12-7-9-8(13)11(10-7)6-4-2-1-3-5-6/h1-5H,(H2,9,10,12,13)

InChIKey

WFYLHMAYBQLBEM-UHFFFAOYSA-N

Compound name

1-phenyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2329
Patents: 177.05383 Da
Monoisotopic Mass: 0.7
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]+	178.06111	135.1
[M+Na]+	200.04305	148.3
[M+NH4]+	195.08765	141.4
[M+K]+	216.01699	144.9
[M-H]-	176.04655	135.4
[M+Na-2H]-	198.02850	142.2
[M]+	177.05328	136.7
[M]-	177.05438	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe