CID 85229

4-phenylurazole

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=O)NNC2=O

InChI

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

InChIKey

GOSUFRDROXZXLN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 32
References: 855
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