CID 6449187

Brn 3623280

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=CC2=C(C=C1)OC/C(=C\C3=CC=CC=C3OC)/C2=O
InChI
InChI=1S/C18H16O4/c1-20-14-7-8-17-15(10-14)18(19)13(11-22-17)9-12-5-3-4-6-16(12)21-2/h3-10H,11H2,1-2H3/b13-9+
InChIKey
VWBCQRHFAYNOOC-UKTHLTGXSA-N
Compound name
(3E)-6-methoxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.5
[M+Na]+ 319.09408 182.0
[M+NH4]+ 314.13868 174.8
[M+K]+ 335.06802 174.1
[M-H]- 295.09758 172.5
[M+Na-2H]- 317.07953 173.6
[M]+ 296.10431 170.5
[M]- 296.10541 170.5
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.