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]+ 369.108106 184.9
[M+Na]+ 391.090048 193.8
[M-H]- 367.093554 193.2
[M+NH4]+ 386.134653 196.6
[M+K]+ 407.063988 186.7
[M+H-H2O]+ 351.098090 180.9
[M+HCOO]- 413.099031 208.2
[M+CH3COO]- 427.114681 209.8
[M+Na-2H]- 389.075496 189.8
[M]+ 368.10028142 190.8
[M]- 368.10137858 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.