CID 5735444

Quinoline, 2-(2-(5-nitro-2-furyl)vinyl)-

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O3/c18-17(19)15-10-9-13(20-15)8-7-12-6-5-11-3-1-2-4-14(11)16-12/h1-10H/b8-7+
InChIKey
VCMFYVDIWRALAP-BQYQJAHWSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

266.06915 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.076426 157.8
[M+Na]+ 289.058368 166.5
[M-H]- 265.061874 165.5
[M+NH4]+ 284.102973 173.4
[M+K]+ 305.032308 158.8
[M+H-H2O]+ 249.066410 154.3
[M+HCOO]- 311.067351 182.9
[M+CH3COO]- 325.083001 189.4
[M+Na-2H]- 287.043816 167.2
[M]+ 266.06860142 159.3
[M]- 266.06969858 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.