CID 3076190

Brn 5818992

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C13H15N3O2/c1-8-5-4-6-9(2)12(8)15-13(17)14-11-7-10(3)18-16-11/h4-7H,1-3H3,(H2,14,15,16,17)

InChIKey

HUODFDFUGXYPJO-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.11642 Da
Monoisotopic Mass: 2.4
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]+	246.123696	156.5
[M+Na]+	268.105638	164.6
[M-H]-	244.109144	163.5
[M+NH4]+	263.150243	172.8
[M+K]+	284.079578	162.7
[M+H-H2O]+	228.113680	148.6
[M+HCOO]-	290.114621	181.4
[M+CH3COO]-	304.130271	197.8
[M+Na-2H]-	266.091086	160.8
[M]+	245.11587142	158.2
[M]-	245.11696858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe