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

10680
Patents

237.0305 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 149.3
[M+Na]+ 260.01972 160.4
[M-H]- 236.02322 157.7
[M+NH4]+ 255.06432 167.4
[M+K]+ 275.99366 157.1
[M+H-H2O]+ 220.02776 142.1
[M+HCOO]- 282.02870 173.2
[M+CH3COO]- 296.04435 194.0
[M+Na-2H]- 258.00517 156.1
[M]+ 237.02995 153.9
[M]- 237.03105 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