CID 9571106

28058-09-5

Structural Information

Molecular Formula
C13H12N8O4
SMILES
C/C(=N\NC1=NC=C(C=C1)[N+](=O)[O-])/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N8O4/c1-9(17-19-13-5-3-11(8-15-13)21(24)25)6-16-18-12-4-2-10(7-14-12)20(22)23/h2-8H,1H3,(H,14,18)(H,15,19)/b16-6+,17-9+
InChIKey
AGVUZXOYZYMXNX-FSVHMREBSA-N
Compound name
5-nitro-N-[(E)-[(2E)-2-[(5-nitropyridin-2-yl)hydrazinylidene]propylidene]amino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09814 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10542 172.6
[M+Na]+ 367.08736 183.2
[M+NH4]+ 362.13196 176.9
[M+K]+ 383.06130 183.4
[M-H]- 343.09086 179.0
[M+Na-2H]- 365.07281 179.8
[M]+ 344.09759 175.1
[M]- 344.09869 175.1
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.