CID 9579179

Akos024356749

Structural Information

Molecular Formula
C13H8N4O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)/C=N/NC(=O)CC#N
InChI
InChI=1S/C13H8N4O5/c14-4-3-12(18)16-15-6-8-7-22-11-2-1-9(17(20)21)5-10(11)13(8)19/h1-2,5-7H,3H2,(H,16,18)/b15-6+
InChIKey
RSYHQYKNJCEZOP-GIDUJCDVSA-N
Compound name
2-cyano-N-[(E)-(6-nitro-4-oxochromen-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.04947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05675 171.5
[M+Na]+ 323.03869 180.2
[M-H]- 299.04219 176.5
[M+NH4]+ 318.08329 183.3
[M+K]+ 339.01263 173.9
[M+H-H2O]+ 283.04673 160.8
[M+HCOO]- 345.04767 193.4
[M+CH3COO]- 359.06332 212.7
[M+Na-2H]- 321.02414 178.8
[M]+ 300.04892 167.7
[M]- 300.05002 167.7
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.