CID 46224722

Chembl591306

Structural Information

Molecular Formula
C16H12N4O2
SMILES
C1=CC=C2C(=C1)NC(=O)C(=O)N2CN3C=NC4=CC=CC=C43
InChI
InChI=1S/C16H12N4O2/c21-15-16(22)20(14-8-4-2-6-12(14)18-15)10-19-9-17-11-5-1-3-7-13(11)19/h1-9H,10H2,(H,18,21)
InChIKey
BCKRWXZGQMIIJK-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-ylmethyl)-1H-quinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09604 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10332 166.5
[M+Na]+ 315.08526 179.4
[M-H]- 291.08876 169.9
[M+NH4]+ 310.12986 179.7
[M+K]+ 331.05920 171.7
[M+H-H2O]+ 275.09330 156.4
[M+HCOO]- 337.09424 185.4
[M+CH3COO]- 351.10989 178.0
[M+Na-2H]- 313.07071 173.8
[M]+ 292.09549 169.0
[M]- 292.09659 169.0
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

No patent data available for this compound.