CID 10923878

Ovalitenin a

Structural Information

Molecular Formula
C18H14O3
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+
InChIKey
KEJNXXMRDHDOCO-VQHVLOKHSA-N
Compound name
(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

278.0943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.9
[M+Na]+ 301.08352 172.3
[M-H]- 277.08702 171.8
[M+NH4]+ 296.12812 180.4
[M+K]+ 317.05746 168.8
[M+H-H2O]+ 261.09156 155.8
[M+HCOO]- 323.09250 187.0
[M+CH3COO]- 337.10815 198.3
[M+Na-2H]- 299.06897 168.2
[M]+ 278.09375 167.8
[M]- 278.09485 167.8
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.