CID 6444523

Brn 1029069

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

0
Patents

324.07462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 170.4
[M+Na]+ 347.06384 185.4
[M+NH4]+ 342.10844 176.9
[M+K]+ 363.03778 183.6
[M-H]- 323.06734 175.7
[M+Na-2H]- 345.04929 176.9
[M]+ 324.07407 173.9
[M]- 324.07517 173.9
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.