CID 5357493

9-nitro-6h-indolo(2,3-b)quinoxaline

Structural Information

Molecular Formula
C14H8N4O2
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=N2
InChI
InChI=1S/C14H8N4O2/c19-18(20)8-5-6-10-9(7-8)13-14(16-10)17-12-4-2-1-3-11(12)15-13/h1-7H,(H,16,17)
InChIKey
DVCQVUGEZJGWFY-UHFFFAOYSA-N
Compound name
9-nitro-6H-indolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

264.06473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.072006 152.4
[M+Na]+ 287.053948 163.5
[M-H]- 263.057454 155.2
[M+NH4]+ 282.098553 168.3
[M+K]+ 303.027888 153.1
[M+H-H2O]+ 247.061990 148.2
[M+HCOO]- 309.062931 173.6
[M+CH3COO]- 323.078581 189.7
[M+Na-2H]- 285.039396 165.6
[M]+ 264.06418142 153.4
[M]- 264.06527858 153.4
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.