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

literature stripe

Patent stripe

patents stripe