CID 135484967

32861-73-7

Structural Information

Molecular Formula
C14H9N3O2
SMILES
C1=CC=C2C(=C1)C3=[N+](C4=CC=CC=C4[N+](=C3N2)[O-])[O-]
InChI
InChI=1S/C14H9N3O2/c18-16-11-7-3-4-8-12(11)17(19)14-13(16)9-5-1-2-6-10(9)15-14/h1-8,15H
InChIKey
HCODANXBHARKGJ-UHFFFAOYSA-N
Compound name
5,11-dioxido-6H-indolo[3,2-b]quinoxaline-5,11-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07675 154.5
[M+Na]+ 274.05869 165.3
[M-H]- 250.06219 155.0
[M+NH4]+ 269.10329 169.4
[M+K]+ 290.03263 149.3
[M+H-H2O]+ 234.06673 155.2
[M+HCOO]- 296.06767 172.3
[M+CH3COO]- 310.08332 176.2
[M+Na-2H]- 272.04414 167.9
[M]+ 251.06892 152.0
[M]- 251.07002 152.0
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.