CID 377824

Nsc659436

Structural Information

Molecular Formula
C14H10N4O4
SMILES
C1=CC(=CC2=NC(=O)NC2=O)C=CC1=CC3=C(NC(=O)N3)O
InChI
InChI=1S/C14H10N4O4/c19-11-9(15-13(21)17-11)5-7-1-2-8(4-3-7)6-10-12(20)18-14(22)16-10/h1-6,19H,(H2,15,17,21)(H,18,20,22)
InChIKey
CTMKMWKZCUEISX-UHFFFAOYSA-N
Compound name
5-[[4-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]imidazole-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

298.0702 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07748 167.4
[M+Na]+ 321.05942 177.5
[M-H]- 297.06292 168.7
[M+NH4]+ 316.10402 177.9
[M+K]+ 337.03336 169.3
[M+H-H2O]+ 281.06746 159.0
[M+HCOO]- 343.06840 183.5
[M+CH3COO]- 357.08405 177.0
[M+Na-2H]- 319.04487 165.6
[M]+ 298.06965 162.8
[M]- 298.07075 162.8
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

No patent data available for this compound.