CID 9577331

5-hydroxydantrolene

Structural Information

Molecular Formula
C14H10N4O6
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+
InChIKey
PGORTQZSSAZLCK-VIZOYTHASA-N
Compound name
5-hydroxy-1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4
Patents

330.06003 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06731 170.9
[M+Na]+ 353.04925 181.2
[M+NH4]+ 348.09385 174.9
[M+K]+ 369.02319 184.5
[M-H]- 329.05275 175.0
[M+Na-2H]- 351.03470 174.5
[M]+ 330.05948 172.8
[M]- 330.06058 172.8
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