CID 5378386

Brn 0575180

Structural Information

Molecular Formula
C18H14N2O5
SMILES
CCOC(=O)C1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O5/c1-2-24-18(21)15-11-12(19-16-6-4-3-5-14(15)16)7-8-13-9-10-17(25-13)20(22)23/h3-11H,2H2,1H3/b8-7+
InChIKey
HFUQJPPUIVSWAP-BQYQJAHWSA-N
Compound name
ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 177.9
[M+Na]+ 361.07949 185.6
[M-H]- 337.08299 185.6
[M+NH4]+ 356.12409 190.4
[M+K]+ 377.05343 178.5
[M+H-H2O]+ 321.08753 173.8
[M+HCOO]- 383.08847 201.4
[M+CH3COO]- 397.10412 202.9
[M+Na-2H]- 359.06494 184.3
[M]+ 338.08972 182.0
[M]- 338.09082 182.0
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.