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]+ 267.07643 157.8
[M+Na]+ 289.05837 166.5
[M-H]- 265.06187 165.5
[M+NH4]+ 284.10297 173.4
[M+K]+ 305.03231 158.8
[M+H-H2O]+ 249.06641 154.3
[M+HCOO]- 311.06735 182.9
[M+CH3COO]- 325.08300 189.4
[M+Na-2H]- 287.04382 167.2
[M]+ 266.06860 159.3
[M]- 266.06970 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.