CID 6446949

7-ethoxy-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Structural Information

Molecular Formula
C17H13NO6
SMILES
CCOC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H13NO6/c1-2-22-13-5-7-14-11(9-17(19)24-15(14)10-13)3-4-12-6-8-16(23-12)18(20)21/h3-10H,2H2,1H3/b4-3+
InChIKey
OYTFAFFSJAXLEM-ONEGZZNKSA-N
Compound name
7-ethoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07428 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08156 170.4
[M+Na]+ 350.06350 186.2
[M+NH4]+ 345.10810 177.1
[M+K]+ 366.03744 184.2
[M-H]- 326.06700 177.6
[M+Na-2H]- 348.04895 176.4
[M]+ 327.07373 174.6
[M]- 327.07483 174.6
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.