CID 215381

35629-58-4

Structural Information

Molecular Formula

C₁₂H₁₂ClN₃O₂

SMILES

CC1=C(OC(=N1)NC(=O)NC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C12H12ClN3O2/c1-7-8(2)18-12(14-7)16-11(17)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H2,14,15,16,17)

InChIKey

SNLPEUXQHXOSDG-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.0618 Da
Monoisotopic Mass: 2.7
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]+	266.069076	160.1
[M+Na]+	288.051018	169.3
[M-H]-	264.054524	166.9
[M+NH4]+	283.095623	176.4
[M+K]+	304.024958	165.8
[M+H-H2O]+	248.059060	152.9
[M+HCOO]-	310.060001	180.6
[M+CH3COO]-	324.075651	198.5
[M+Na-2H]-	286.036466	164.2
[M]+	265.06125142	163.5
[M]-	265.06234858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe