CID 54688247

Brn 4597697

Structural Information

Molecular Formula
C17H14N4O6
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-])O
InChI
InChI=1S/C17H14N4O6/c1-2-20-12-6-4-3-5-11(12)15(22)14(17(20)24)16(23)19-18-9-10-7-8-13(27-10)21(25)26/h3-9,22H,2H2,1H3,(H,19,23)/b18-9+
InChIKey
LIMGEZQBFZTQFW-GIJQJNRQSA-N
Compound name
1-ethyl-4-hydroxy-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

370.09134 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09862 181.3
[M+Na]+ 393.08056 188.9
[M-H]- 369.08406 189.7
[M+NH4]+ 388.12516 192.0
[M+K]+ 409.05450 182.3
[M+H-H2O]+ 353.08860 176.7
[M+HCOO]- 415.08954 207.1
[M+CH3COO]- 429.10519 214.1
[M+Na-2H]- 391.06601 188.8
[M]+ 370.09079 185.0
[M]- 370.09189 185.0
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.