CID 5271106

8-nitro-5h-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C9H6N6O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C3=C(N2)N=C(N=N3)N
InChI
InChI=1S/C9H6N6O2/c10-9-12-8-7(13-14-9)5-3-4(15(16)17)1-2-6(5)11-8/h1-3H,(H3,10,11,12,14)
InChIKey
AVNRCWIOVLVSQL-UHFFFAOYSA-N
Compound name
8-nitro-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.05522 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06250 141.9
[M+Na]+ 253.04444 152.5
[M-H]- 229.04794 142.2
[M+NH4]+ 248.08904 156.6
[M+K]+ 269.01838 143.4
[M+H-H2O]+ 213.05248 138.0
[M+HCOO]- 275.05342 163.1
[M+CH3COO]- 289.06907 183.9
[M+Na-2H]- 251.02989 154.2
[M]+ 230.05467 139.9
[M]- 230.05577 139.9
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.