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: 2
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	147.8
[M+Na]+	240.07435	159.0
[M+NH4]+	235.11895	155.0
[M+K]+	256.04829	155.6
[M-H]-	216.07785	152.5
[M+Na-2H]-	238.05980	155.1
[M]+	217.08458	150.4
[M]-	217.08568	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe