CID 99331

84882-78-0

Structural Information

Molecular Formula

C₁₁H₁₀FN₃O₂

SMILES

CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)

InChIKey

WAKQZUJXHQHOEF-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 0
Patents: 235.0757 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]+	236.08298	150.9
[M+Na]+	258.06492	161.5
[M+NH4]+	253.10952	157.3
[M+K]+	274.03886	158.3
[M-H]-	234.06842	154.1
[M+Na-2H]-	256.05037	157.1
[M]+	235.07515	152.9
[M]-	235.07625	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.