CID 21929

Drazoxolon

Structural Information

Molecular Formula

C₁₀H₈ClN₃O₂

SMILES

CC1=C(C(=O)ON1)N=NC2=CC=CC=C2Cl

InChI

InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,14H,1H3

InChIKey

ZRGHYHHYHYAJBT-UHFFFAOYSA-N

Compound name

4-[(2-chlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 12039
Patents: 237.0305 Da
Monoisotopic Mass: 3.3
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe