CID 838793

130688-86-7

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=C(C=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H16O4/c1-20-16-8-7-12(10-17(16)21-2)9-13-11-22-15-6-4-3-5-14(15)18(13)19/h3-10H,11H2,1-2H3/b13-9+
InChIKey
KNEFUOWBXSWAJV-UKTHLTGXSA-N
Compound name
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
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]+ 297.112136 166.3
[M+Na]+ 319.094078 174.7
[M-H]- 295.097584 174.7
[M+NH4]+ 314.138683 181.4
[M+K]+ 335.068018 172.0
[M+H-H2O]+ 279.102120 158.2
[M+HCOO]- 341.103061 186.5
[M+CH3COO]- 355.118711 203.3
[M+Na-2H]- 317.079526 171.4
[M]+ 296.10431142 169.0
[M]- 296.10540858 169.0
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

No patent data available for this compound.