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 156.0
[M+Na]+ 289.05837 172.5
[M+NH4]+ 284.10297 164.5
[M+K]+ 305.03231 169.0
[M-H]- 265.06187 162.8
[M+Na-2H]- 287.04382 164.6
[M]+ 266.06860 160.3
[M]- 266.06970 160.3
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.