CID 54688251

Brn 4584946

Structural Information

Molecular Formula
C16H12N4O6
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-])O
InChI
InChI=1S/C16H12N4O6/c1-19-11-5-3-2-4-10(11)14(21)13(16(19)23)15(22)18-17-8-9-6-7-12(26-9)20(24)25/h2-8,21H,1H3,(H,18,22)/b17-8+
InChIKey
SCDSBVFQWXDUTE-CAOOACKPSA-N
Compound name
4-hydroxy-1-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.07568 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08296 176.5
[M+Na]+ 379.06490 184.6
[M-H]- 355.06840 185.1
[M+NH4]+ 374.10950 187.8
[M+K]+ 395.03884 178.2
[M+H-H2O]+ 339.07294 172.1
[M+HCOO]- 401.07388 202.7
[M+CH3COO]- 415.08953 211.1
[M+Na-2H]- 377.05035 184.5
[M]+ 356.07513 179.9
[M]- 356.07623 179.9
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.