CID 118851

35629-52-8

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]+	218.09241	146.3
[M+Na]+	240.07435	153.4
[M-H]-	216.07785	152.9
[M+NH4]+	235.11895	163.2
[M+K]+	256.04829	152.1
[M+H-H2O]+	200.08239	138.3
[M+HCOO]-	262.08333	172.0
[M+CH3COO]-	276.09898	189.3
[M+Na-2H]-	238.05980	153.2
[M]+	217.08458	146.6
[M]-	217.08568	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe