CID 6096794

Chembl177451

Structural Information

Molecular Formula
C11H7N3O4
SMILES
CN1C(=O)C2=C(C1=O)C(=O)C3=C(C2=O)NC=CN3
InChI
InChI=1S/C11H7N3O4/c1-14-10(17)4-5(11(14)18)9(16)7-6(8(4)15)12-2-3-13-7/h2-3,12-13H,1H3
InChIKey
LTJUYMLYLPFDEZ-UHFFFAOYSA-N
Compound name
7-methyl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

245.04366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05094 148.8
[M+Na]+ 268.03288 164.2
[M-H]- 244.03638 150.2
[M+NH4]+ 263.07748 165.6
[M+K]+ 284.00682 158.0
[M+H-H2O]+ 228.04092 142.2
[M+HCOO]- 290.04186 168.8
[M+CH3COO]- 304.05751 162.3
[M+Na-2H]- 266.01833 155.0
[M]+ 245.04311 152.4
[M]- 245.04421 152.4
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.