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
1
Annotation Hits

0
References

1863
Patents

239.127 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 154.8
[M+Na]+ 262.11622 164.1
[M-H]- 238.11972 158.0
[M+NH4]+ 257.16082 170.6
[M+K]+ 278.09016 163.2
[M+H-H2O]+ 222.12426 148.4
[M+HCOO]- 284.12520 171.6
[M+CH3COO]- 298.14085 189.5
[M+Na-2H]- 260.10167 155.6
[M]+ 239.12645 156.4
[M]- 239.12755 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe