CID 5377665

2-(2-(5-nitro-2-furyl)vinyl)-8-quinolinecarboxylic acid

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC2=C(C(=C1)C(=O)O)N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C16H10N2O5/c19-16(20)13-3-1-2-10-4-5-11(17-15(10)13)6-7-12-8-9-14(23-12)18(21)22/h1-9H,(H,19,20)/b7-6+
InChIKey
MPLXOYIEPRYMGQ-VOTSOKGWSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.05896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 166.1
[M+Na]+ 333.04818 180.8
[M+NH4]+ 328.09278 172.4
[M+K]+ 349.02212 179.5
[M-H]- 309.05168 170.9
[M+Na-2H]- 331.03363 172.2
[M]+ 310.05841 169.3
[M]- 310.05951 169.3
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.