CID 156909

Busoxinone

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₃

SMILES

CC(C)(C)C1=CC(=NO1)N2C(CN(C2=O)C)O

InChI

InChI=1S/C11H17N3O3/c1-11(2,3)7-5-8(12-17-7)14-9(15)6-13(4)10(14)16/h5,9,15H,6H2,1-4H3

InChIKey

SCFGLMLXZAQXGC-UHFFFAOYSA-N

Compound name

3-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxy-1-methylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2817
Patents: 239.127 Da
Monoisotopic Mass: 1.0
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]+	240.134276	154.8
[M+Na]+	262.116218	164.1
[M-H]-	238.119724	158.0
[M+NH4]+	257.160823	170.6
[M+K]+	278.090158	163.2
[M+H-H2O]+	222.124260	148.4
[M+HCOO]-	284.125201	171.6
[M+CH3COO]-	298.140851	189.5
[M+Na-2H]-	260.101666	155.6
[M]+	239.12645142	156.4
[M]-	239.12754858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe