CID 441958

Vignafuran

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
InChI
InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
InChIKey
YCDZKMJZSGRQML-UHFFFAOYSA-N
Compound name
3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

270.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 157.7
[M+Na]+ 293.078418 168.8
[M-H]- 269.081924 166.3
[M+NH4]+ 288.123023 175.5
[M+K]+ 309.052358 166.4
[M+H-H2O]+ 253.086460 151.3
[M+HCOO]- 315.087401 181.8
[M+CH3COO]- 329.103051 195.8
[M+Na-2H]- 291.063866 163.7
[M]+ 270.08865142 164.6
[M]- 270.08974858 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe