CID 118849

35629-49-3

Structural Information

Molecular Formula

C₁₀H₈ClN₃O₂

SMILES

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

InChI

InChI=1S/C10H8ClN3O2/c11-7-2-1-3-8(6-7)13-9(15)14-10-12-4-5-16-10/h1-6H,(H2,12,13,14,15)

InChIKey

WCSFICOQZXHPAJ-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-(1,3-oxazol-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.0305 Da
Monoisotopic Mass: 1.9
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]+	238.03778	149.4
[M+Na]+	260.01972	161.7
[M+NH4]+	255.06432	157.1
[M+K]+	275.99366	157.6
[M-H]-	236.02322	154.2
[M+Na-2H]-	258.00517	157.0
[M]+	237.02995	152.5
[M]-	237.03105	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe