CID 6444523

8-quinolinol, 2-(2-(5-nitro-2-furyl)vinyl)-, acetate

Structural Information

Molecular Formula
C17H12N2O5
SMILES
CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O5/c1-11(20)23-15-4-2-3-12-5-6-13(18-17(12)15)7-8-14-9-10-16(24-14)19(21)22/h2-10H,1H3/b8-7+
InChIKey
GNOCVHJPIRRFKT-BQYQJAHWSA-N
Compound name
[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.07462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.081896 173.0
[M+Na]+ 347.063838 181.1
[M-H]- 323.067344 180.9
[M+NH4]+ 342.108443 186.1
[M+K]+ 363.037778 174.3
[M+H-H2O]+ 307.071880 169.1
[M+HCOO]- 369.072821 196.8
[M+CH3COO]- 383.088471 200.0
[M+Na-2H]- 345.049286 179.9
[M]+ 324.07407142 176.7
[M]- 324.07516858 176.7
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

patents stripe