CID 278809

58351-48-7

Structural Information

Molecular Formula
C14H7N3O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C4C(=O)C=CC(=O)C4=N3
InChI
InChI=1S/C14H7N3O2/c18-9-5-6-10(19)13-12(9)16-11-7-3-1-2-4-8(7)15-14(11)17-13/h1-6H,(H,15,17)
InChIKey
OCTOAPCKDLEKQS-UHFFFAOYSA-N
Compound name
6H-indolo[3,2-b]quinoxaline-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05383 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06111 153.2
[M+Na]+ 272.04305 166.1
[M-H]- 248.04655 155.5
[M+NH4]+ 267.08765 170.8
[M+K]+ 288.01699 159.3
[M+H-H2O]+ 232.05109 144.9
[M+HCOO]- 294.05203 171.3
[M+CH3COO]- 308.06768 165.6
[M+Na-2H]- 270.02850 161.3
[M]+ 249.05328 154.6
[M]- 249.05438 154.6
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.