CID 724079

84023-76-7

Structural Information

Molecular Formula
C19H16O4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C=C(OC2=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H16O4/c1-21-16-9-8-13(11-18(16)22-2)10-15-12-17(23-19(15)20)14-6-4-3-5-7-14/h3-12H,1-2H3/b15-10-
InChIKey
BAHDPRXJBVKEAI-GDNBJRDFSA-N
Compound name
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.112136 170.0
[M+Na]+ 331.094078 178.8
[M-H]- 307.097584 181.2
[M+NH4]+ 326.138683 185.3
[M+K]+ 347.068018 175.8
[M+H-H2O]+ 291.102120 162.2
[M+HCOO]- 353.103061 193.7
[M+CH3COO]- 367.118711 203.9
[M+Na-2H]- 329.079526 172.2
[M]+ 308.10431142 174.0
[M]- 308.10540858 174.0
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.