CID 9588292

Brn 5155147

Structural Information

Molecular Formula
C10H6N8O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC2=NC3=C(C(=O)NC(=O)N3)N=N2
InChI
InChI=1S/C10H6N8O5/c19-8-6-7(13-10(20)14-8)12-9(17-15-6)16-11-3-4-1-2-5(23-4)18(21)22/h1-3H,(H3,12,13,14,16,17,19,20)/b11-3+
InChIKey
KLYIHEUFYSXCCD-QDEBKDIKSA-N
Compound name
3-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0461 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05338 161.6
[M+Na]+ 341.03532 171.4
[M-H]- 317.03882 164.7
[M+NH4]+ 336.07992 168.2
[M+K]+ 357.00926 162.8
[M+H-H2O]+ 301.04336 155.5
[M+HCOO]- 363.04430 183.9
[M+CH3COO]- 377.05995 199.2
[M+Na-2H]- 339.02077 174.7
[M]+ 318.04555 161.7
[M]- 318.04665 161.7
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.