CID 21930

Metazoxolon

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
CC1=C(C(=O)ON1)N=NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-4-2-3-7(11)5-8/h2-5,14H,1H3
InChIKey
UJVMVEZTSSMXAC-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4170
Patents

237.0305 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 149.3
[M+Na]+ 260.019718 160.4
[M-H]- 236.023224 157.7
[M+NH4]+ 255.064323 167.4
[M+K]+ 275.993658 157.1
[M+H-H2O]+ 220.027760 142.1
[M+HCOO]- 282.028701 173.2
[M+CH3COO]- 296.044351 194.0
[M+Na-2H]- 258.005166 156.1
[M]+ 237.02995142 153.9
[M]- 237.03104858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe