CID 5271108

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

Structural Information

Molecular Formula
C10H8N6O2
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1N=C(N=N3)N
InChI
InChI=1S/C10H8N6O2/c1-15-7-3-2-5(16(17)18)4-6(7)8-9(15)12-10(11)14-13-8/h2-4H,1H3,(H2,11,12,14)
InChIKey
FOILXDWTEHGGMF-UHFFFAOYSA-N
Compound name
5-methyl-8-nitro-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.07088 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07816 148.4
[M+Na]+ 267.06010 159.9
[M-H]- 243.06360 150.2
[M+NH4]+ 262.10470 163.5
[M+K]+ 283.03404 151.3
[M+H-H2O]+ 227.06814 144.3
[M+HCOO]- 289.06908 170.6
[M+CH3COO]- 303.08473 190.6
[M+Na-2H]- 265.04555 159.7
[M]+ 244.07033 148.9
[M]- 244.07143 148.9
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.