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]+ 309.11214 170.0
[M+Na]+ 331.09408 178.8
[M-H]- 307.09758 181.2
[M+NH4]+ 326.13868 185.3
[M+K]+ 347.06802 175.8
[M+H-H2O]+ 291.10212 162.2
[M+HCOO]- 353.10306 193.7
[M+CH3COO]- 367.11871 203.9
[M+Na-2H]- 329.07953 172.2
[M]+ 308.10431 174.0
[M]- 308.10541 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.