CID 6447410

74693-56-4

Structural Information

Molecular Formula
C19H16N2O6
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])OC(=O)C
InChI
InChI=1S/C19H16N2O6/c1-3-20-16-7-5-4-6-14(16)18(26-12(2)22)15(19(20)23)10-8-13-9-11-17(27-13)21(24)25/h4-11H,3H2,1-2H3/b10-8+
InChIKey
FMHXOOUSZWESDI-CSKARUKUSA-N
Compound name
[1-ethyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.10083 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10811 184.9
[M+Na]+ 391.09005 193.8
[M-H]- 367.09355 193.2
[M+NH4]+ 386.13465 196.6
[M+K]+ 407.06399 186.7
[M+H-H2O]+ 351.09809 180.9
[M+HCOO]- 413.09903 208.2
[M+CH3COO]- 427.11468 209.8
[M+Na-2H]- 389.07550 189.8
[M]+ 368.10028 190.8
[M]- 368.10138 190.8
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.