CID 6446949

2h-1-benzopyran-2-one, 7-ethoxy-4-(2-(5-nitro-2-furanyl)ethenyl)-, (e)-

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]+ 328.081556 173.5
[M+Na]+ 350.063498 182.8
[M-H]- 326.067004 183.6
[M+NH4]+ 345.108103 186.8
[M+K]+ 366.037438 177.1
[M+H-H2O]+ 310.071540 170.6
[M+HCOO]- 372.072481 198.7
[M+CH3COO]- 386.088131 201.1
[M+Na-2H]- 348.048946 181.5
[M]+ 327.07373142 180.0
[M]- 327.07482858 180.0
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.