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 173.5
[M+Na]+ 350.06350 182.8
[M-H]- 326.06700 183.6
[M+NH4]+ 345.10810 186.8
[M+K]+ 366.03744 177.1
[M+H-H2O]+ 310.07154 170.6
[M+HCOO]- 372.07248 198.7
[M+CH3COO]- 386.08813 201.1
[M+Na-2H]- 348.04895 181.5
[M]+ 327.07373 180.0
[M]- 327.07483 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.