CID 118851

Urea, 1-(2-oxazolyl)-3-(o-tolyl)-

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CC1=CC=CC=C1NC(=O)NC2=NC=CO2

InChI

InChI=1S/C11H11N3O2/c1-8-4-2-3-5-9(8)13-10(15)14-11-12-6-7-16-11/h2-7H,1H3,(H2,12,13,14,15)

InChIKey

ISVQQJRVLCFYMV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.08513 Da
Monoisotopic Mass: 1.6
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]+	218.092406	146.3
[M+Na]+	240.074348	153.4
[M-H]-	216.077854	152.9
[M+NH4]+	235.118953	163.2
[M+K]+	256.048288	152.1
[M+H-H2O]+	200.082390	138.3
[M+HCOO]-	262.083331	172.0
[M+CH3COO]-	276.098981	189.3
[M+Na-2H]-	238.059796	153.2
[M]+	217.08458142	146.6
[M]-	217.08567858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe