CID 21536

5421-95-4

Structural Information

Molecular Formula

C₉H₈N₄O₂

SMILES

C1=CC=C(C=C1)C2=NOC(=N2)NC(=O)N

InChI

InChI=1S/C9H8N4O2/c10-8(14)12-9-11-7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)

InChIKey

LMIXYJYVSQYMNF-UHFFFAOYSA-N

Compound name

(3-phenyl-1,2,4-oxadiazol-5-yl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 204.06473 Da
Monoisotopic Mass: 1.8
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]+	205.07201	142.3
[M+Na]+	227.05395	153.4
[M+NH4]+	222.09855	148.9
[M+K]+	243.02789	151.1
[M-H]-	203.05745	146.1
[M+Na-2H]-	225.03940	149.2
[M]+	204.06418	144.6
[M]-	204.06528	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe