CID 118568

33887-04-6

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC=CO2

InChI

InChI=1S/C10H9N3O2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)

InChIKey

WRHGKVNXGAUMGD-UHFFFAOYSA-N

Compound name

1-(1,3-oxazol-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 203.06947 Da
Monoisotopic Mass: 1.2
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]+	204.07675	141.1
[M+Na]+	226.05869	147.7
[M-H]-	202.06219	147.4
[M+NH4]+	221.10329	158.2
[M+K]+	242.03263	146.6
[M+H-H2O]+	186.06673	133.1
[M+HCOO]-	248.06767	167.2
[M+CH3COO]-	262.08332	185.2
[M+Na-2H]-	224.04414	149.3
[M]+	203.06892	140.6
[M]-	203.07002	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe