CID 5478334

2-(2-(5-nitro-2-furyl)vinyl)cinchoninic acid

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C16H10N2O5/c19-16(20)13-9-10(17-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)18(21)22/h1-9H,(H,19,20)/b6-5+
InChIKey
BAFOFWPLFSJBEB-AATRIKPKSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-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 167.4
[M+Na]+ 333.04818 175.5
[M-H]- 309.05168 174.1
[M+NH4]+ 328.09278 180.3
[M+K]+ 349.02212 168.0
[M+H-H2O]+ 293.05622 164.0
[M+HCOO]- 355.05716 190.1
[M+CH3COO]- 369.07281 195.1
[M+Na-2H]- 331.03363 174.6
[M]+ 310.05841 169.2
[M]- 310.05951 169.2
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.